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1 | | C2H5NO2 | | glycine | glycine | | 75.0320284 | 12.881 | 10.1021/acssynbio.5b00236 | 750 | DHMQDGOQFOQNFH-UHFFFAOYSA-N | C(C(=O)O)N | 15428 | CHEMONTID:0000013 |
2 | | C3H7NO3 | | serine | L-serine | | 105.0425931 | 13.405 | 10.1021/acssynbio.5b00236 | 5951 | MTCFGRXMJLQNBG-REOHCLBHSA-N | C(C(C(=O)O)N)O | 17115 | CHEMONTID:0000013 |
3 | | C5H9NO2 | | proline | L-proline | | 115.0633285 | 9.428 | 10.1021/acssynbio.5b00236 | 145742 | ONIBWKKTOPOVIA-BYPYZUCNSA-N | C1CC(NC1)C(=O)O | 17203 | CHEMONTID:0000013 |
4 | | C5H11NO2 | | valine | L-valine | | 117.0789786 | 9.659 | 10.1021/acssynbio.5b00236 | 6287 | KZSNJWFQEVHDMF-BYPYZUCNSA-N | CC(C)C(C(=O)O)N | 16414 | CHEMONTID:0000013 |
5 | | C4H9NO3 | | threonine/homoserine | | | 119.0582432 | 12.122 | 10.1021/acssynbio.5b00236 | | | | | |
6 | | C5H9NO3 | | 4-hydroxy-L-proline | L-Hydroxyproline | | 131.0582432 | 11.6 | 10.1021/acssynbio.5b00236 | 5810 | PMMYEEVYMWASQN-DMTCNVIQSA-N | C1C(CNC1C(=O)O)O | 18095 | CHEMONTID:0000013 |
7 | | C6H13NO2 | | leucine | L-leucine | | 131.0946287 | 8.097 | 10.1021/acssynbio.5b00236 | 6106 | ROHFNLRQFUQHCH-YFKPBYRVSA-N | CC(C)CC(C(=O)O)N | 15603 | CHEMONTID:0000013 |
8 | | C6H13NO2 | | isoleucine | l-isoleucine | | 131.0946287 | 8.503 | 10.1021/acssynbio.5b00236 | 6306 | AGPKZVBTJJNPAG-WHFBIAKZSA-N | CCC(C)C(C(=O)O)N | 17191 | CHEMONTID:0000013 |
9 | | C4H8N2O3 | | asparagine | L-asparagine | | 132.0534921 | 13.371 | 10.1021/acssynbio.5b00236 | 6267 | DCXYFEDJOCDNAF-REOHCLBHSA-N | C(C(C(=O)O)N)C(=O)N | 17196 | CHEMONTID:0000013 |
10 | | C4H7NO4 | | aspartate | L-aspartic acid | | 133.0375077 | 14.772 | 10.1021/acssynbio.5b00236 | 5960 | CKLJMWTZIZZHCS-REOHCLBHSA-N | C(C(C(=O)O)N)C(=O)O | 17053 | CHEMONTID:0000013 |
11 | | C5H10N2O3 | | glutamine | L-glutamine | | 146.0691422 | 12.881 | 10.1021/acssynbio.5b00236 | 5961 | ZDXPYRJPNDTMRX-VKHMYHEASA-N | C(CC(=O)N)C(C(=O)O)N | 18050 | |
12 | | C6H14N2O2 | | lysine | L-lysine | | 146.1055277 | 22.342 | 10.1021/acssynbio.5b00236 | 5962 | KDXKERNSBIXSRK-YFKPBYRVSA-N | C(CCN)CC(C(=O)O)N | 18019 | |
13 | | C5H9NO4 | | glutamate | L-glutamic acid | | 147.0531578 | 14.306 | 10.1021/acssynbio.5b00236 | 33032 | WHUUTDBJXJRKMK-VKHMYHEASA-N | C(CC(=O)O)C(C(=O)O)N | 16015 | CHEMONTID:0000013 |
14 | | C6H9N3O2 | | histidine | L-histidine | | 155.0694765 | 14.696 | 10.1021/acssynbio.5b00236 | 6274 | HNDVDQJCIGZPNO-YFKPBYRVSA-N | C1=C(NC=N1)CC(C(=O)O)N | 15971 | |
15 | | C9H11NO2 | | phenylalanine | L-phenylalanine | | 165.0789786 | 8.13 | 10.1021/acssynbio.5b00236 | 6140 | COLNVLDHVKWLRT-QMMMGPOBSA-N | C1=CC=C(C=C1)CC(C(=O)O)N | 17295 | |
16 | | C6H14N4O2 | | arginine | L-arginine | | 174.1116757 | 22.695 | 10.1021/acssynbio.5b00236 | 6322 | ODKSFYDXXFIFQN-BYPYZUCNSA-N | C(CC(C(=O)O)N)CN=C(N)N | 16467 | CHEMONTID:0000013 |
17 | | C6H13N3O3 | | citrulline | L-citrulline | | 175.0956913 | 13.747 | 10.1021/acssynbio.5b00236 | 9750 | RHGKLRLOHDJJDR-BYPYZUCNSA-N | C(CC(C(=O)O)N)CNC(=O)N | 16349 | |
18 | | C9H11NO3 | | tyrosine | L-tyrosine | | 181.0738932 | 10.694 | 10.1021/acssynbio.5b00236 | 6057 | OUYCCCASQSFEME-QMMMGPOBSA-N | C1=CC(=CC=C1CC(C(=O)O)N)O | 17895 | |
19 | | C11H12N2O2 | | tryptophan | L-tryptophan | | 204.0898776 | 9.104 | 10.1021/acssynbio.5b00236 | 6305 | QIVBCDIJIAJPQS-VIFPVBQESA-N | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N | 16828 | CHEMONTID:0001290 |
20 | | C5H11NO2S | | methionine | L-methionine | | 149.0510496 | 9.203 | 10.1021/acssynbio.5b00236 | 6137 | FFEARJCKVFRZRR-BYPYZUCNSA-N | CSCCC(C(=O)O)N | 16643 | |
21 | | C6H12N2O4S2 | | cystine | L-cystine | | 240.0238489 | 16.72 | 10.1021/acssynbio.5b00236 | 67678 | LEVWYRKDKASIDU-IMJSIDKUSA-N | C(C(C(=O)O)N)SSCC(C(=O)O)N | 16283 | CHEMONTID:0000013 |
22 | | C8H16N2O4S2 | | homocystine | DL-Homocystine | | 268.055149 | 15.523 | 10.1021/acssynbio.5b00236 | 10010 | ZTVZLYBCZNMWCF-UHFFFAOYSA-N | C(CSSCCC(C(=O)O)N)C(C(=O)O)N | 17485 | |
23 | | C3H7NO2S | | cysteine | L-cysteine | | 121.0197495 | 0.0 | 10.1021/acssynbio.5b00236 | 5862 | XUJNEKJLAYXESH-REOHCLBHSA-N | C(C(C(=O)O)N)S | 17561 | |
24 | | C7H14N2O4S | | cystathionine | cystathionine | | 222.0674279 | 16.636 | 10.1021/acssynbio.5b00236 | 834 | ILRYLPWNYFXEMH-UHFFFAOYSA-N | C(CSCC(C(=O)O)N)C(C(=O)O)N | 17755 | |
25 | | C8H14N2O5S | | glutamylcysteine | glutamylcysteine | | 250.0623426 | 13.263 | 10.1021/acssynbio.5b00236 | 10171468 | PABVKUJVLNMOJP-WHFBIAKZSA-N | C(CC(=O)O)C(C(=O)NC(CS)C(=O)O)N | 156047 | |
26 | | C10H17N3O6S | | glutathione | glutathione | | 307.0838063 | 12.718 | 10.1021/acssynbio.5b00236 | 124886 | RWSXRVCMGQZWBV-WDSKDSINSA-N | C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N | 16856 | |
27 | | C20H32N6O12S2 | | glutathione disulfide | oxiglutatione | | 612.1519625 | 18.191 | 10.1021/acssynbio.5b00236 | 65359 | YPZRWBKMTBYPTK-BJDJZHNGSA-N | C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N | 17858 | CHEMONTID:0000013 |
28 | | C3H3O3S | | mercaptopyruvate | 3-mercaptopyruvic acid | | 118.98029 | 0.0 | 10.1021/acssynbio.5b00236 | 98 | OJOLFAIGOXZBCI-UHFFFAOYSA-N | C(C(=O)C(=O)O)S | 16208 | |
29 | | C4H9NO2S | | homocysteine | L-Homocysteine | | 135.0353995 | 0.0 | 10.1021/acssynbio.5b00236 | 91552 | FFFHZYDWPBMWHY-VKHMYHEASA-N | C(CS)C(C(=O)O)N | 17588 | |
30 | | C15H22N6O5S | | adenosylmethionine | S-adenosyl-L-methionine | | 398.1372388 | 10.517 | 10.1021/acssynbio.5b00236 | 34755 | MEFKEPWMEQBLKI-AIRLBKTGSA-N | C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | 67040 | |
31 | | C13H22N4O8S2 | | glutathionyl-cysteine | | | 426.0879057 | 0.0 | 10.1021/acssynbio.5b00236 | | | | | |
32 | | S | | cysteine or other cys or SH containing metabolite | | | 1.0 | 1.0 | 10.1021/acssynbio.5b00236 | | | | | |
33 | | C5H5N5 | | Adenine | adenine | | 0.0 | 10.17071676 | 10.1038/ncomms9289 | 190 | GFFGJBXGBJISGV-UHFFFAOYSA-N | C1=NC2=NC=NC(=C2N1)N | 16708 | |
34 | | C5H4N4O2 | | Xanthine | xanthine | | 0.0 | 13.63918698 | 10.1038/ncomms9289 | 1188 | LRFVTYWOQMYALW-UHFFFAOYSA-N | C1=NC2=C(N1)C(=O)NC(=O)N2 | 17712 | |
35 | | NA | | Unk_728.1891p_726.1732n_28.7_RB_BiocrustExp | | | 0.0 | 28.65584217 | 10.1038/ncomms9289 | | | | | |
36 | | NA | | 7Hex+C7H16O7 | | | 0.0 | 24.06371245 | 10.1038/ncomms9289 | | | | | |
37 | | NA | | 6Hex+C7H16O7 | | | 0.0 | 23.76283152 | 10.1038/ncomms9289 | | | | | |
38 | | NA | | 5Hex+C7H16O7 | | | 0.0 | 23.36231845 | 10.1038/ncomms9289 | | | | | |
39 | | NA | | Trihexose | | | 0.0 | 21.97257941 | 10.1038/ncomms9289 | | | | | |
40 | | NA | | 4Hex+C7H16O7 | | | 0.0 | 22.92513649 | 10.1038/ncomms9289 | | | | | |
41 | | NA | | Unk_812.4166p_810.3997n_22.8_RB_BiocrustExp | | | 0.0 | 22.82260605 | 10.1038/ncomms9289 | | | | | |
42 | | NA | | Unk_679.2675p_677.258n_23.5_RB_BiocrustExp | | | 0.0 | 23.46866931 | 10.1038/ncomms9289 | | | | | |
43 | | C7H16O7 | | C7H16O7_213.0931p_211.073n_22.6_RB_BiocrustExp | | | 0.0 | 22.60409476 | 10.1038/ncomms9289 | | | | | |
44 | | NA | | 3Hex+C7H16O7 | | | 0.0 | 22.37961622 | 10.1038/ncomms9289 | | | | | |
45 | | NA | | Dihexose | | | 0.0 | 21.07068084 | 10.1038/ncomms9289 | | | | | |
46 | | NA | | 2Hex+glycerol | | | 0.0 | 21.24253315 | 10.1038/ncomms9289 | | | | | |
47 | | NA | | Unk_255.1013p_253.0852n_20_RB_BiocrustExp | | | 0.0 | 20.01891923 | 10.1038/ncomms9289 | | | | | |
48 | | C9H18NO10S | | C9H18NO10S_336.0972p_317.0548n_19.7_RB_BiocrustExp | | | 0.0 | 19.69312129 | 10.1038/ncomms9289 | | | | | |
49 | | NA | | Hexosylglycerol | | | 0.0 | 18.99813442 | 10.1038/ncomms9289 | | | | | |
50 | | C19H30N2O12 | | C19H30N2O12_479.1877p_477.1774n_18.5_RB_BiocrustExp | | | 0.0 | 18.54995991 | 10.1038/ncomms9289 | | | | | |
51 | | NA | | Unk_694.2936p_692.2762n_16.4_RB_BiocrustExp | | | 0.0 | 16.39409468 | 10.1038/ncomms9289 | | | | | |
52 | | NA | | Unk_251.1647p_249.1486n_6.8_RB_BiocrustExp | | | 0.0 | 6.826368405 | 10.1038/ncomms9289 | | | | | |
53 | | NA | | Unk_504.3268p_485.2825n_3.2_RB_BiocrustExp | | | 0.0 | 3.231633904 | 10.1038/ncomms9289 | | | | | |
54 | | NA | | Unk_836.5569p_817.5176n_3.9_RB_BiocrustExp | | | 0.0 | 3.937068822 | 10.1038/ncomms9289 | | | | | |
55 | | C18H36O2 | | C18:0 fatty acid | | | 0.0 | 5.083542982 | 10.1038/ncomms9289 | | | | | |
56 | | C16H32O2 | | C16:0 fatty acid | | | 0.0 | 4.288171969 | 10.1038/ncomms9289 | | | | | |
57 | | C14H28O2 | | C14:0 fatty acid | | | 0.0 | 4.348506139 | 10.1038/ncomms9289 | | | | | |
58 | | NA | | Unk_0p_426.9698n_4.5_RB_BiocrustExp | | | 0.0 | 4.476804732 | 10.1038/ncomms9289 | | | | | |
59 | | NA | | Unk_0p_213.963n_7.4_RB_BiocrustExp | | | 0.0 | 7.403037173 | 10.1038/ncomms9289 | | | | | |
60 | | C10H20O2 | | C10:0 fatty acid | | | 0.0 | 6.788554452 | 10.1038/ncomms9289 | | | | | |
61 | | C7H8O3S | | C7H8O3S | | | 0.0 | 7.901355164 | 10.1038/ncomms9289 | | | | | |
62 | | C7H6O3 | | Hydroxybenzoic acid | 4-HYDROXYBENZOIC ACID | | 0.0 | 7.886313853 | 10.1038/ncomms9289 | 135 | FJKROLUGYXJWQN-UHFFFAOYSA-N | C1=CC(=CC=C1C(=O)O)O | 30763 | CHEMONTID:0000176 |
63 | | C6H8O7 | | Citrate/Isocitrate | | | 0.0 | 20.4420552 | 10.1038/ncomms9289 | | | | | |
64 | | C18H33O19P | | 3Hex phosphate | | | 0.0 | 20.97585897 | 10.1038/ncomms9289 | | | | | |
65 | | C4H6O4 | | Succinate | succinate | | 0.0 | 19.61786892 | 10.1038/ncomms9289 | 160419 | KDYFGRWQOYBRFD-UHFFFAOYSA-L | C(CC(=O)[O-])C(=O)[O-] | 30031 | CHEMONTID:0000346 |
66 | | C4H6O5 | | Malate | malic acid | | 0.0 | 19.82102156 | 10.1038/ncomms9289 | 525 | BJEPYKJPYRNKOW-UHFFFAOYSA-N | C(C(C(=O)O)O)C(=O)O | 6650 | |
67 | | C7H12O5 | | 2-isopropylmalate | 2-Isopropylmalic acid | | 0.0 | 15.26443456 | 10.1038/ncomms9289 | 77 | BITYXLXUCSKTJS-UHFFFAOYSA-N | CC(C)C(CC(=O)O)(C(=O)O)O | 28635 | |
68 | | C5H8O5 | | Citramalic acid | Citramalic acid | | 0.0 | 19.66726777 | 10.1038/ncomms9289 | 1081 | XFTRTWQBIOMVPK-UHFFFAOYSA-N | CC(CC(=O)O)(C(=O)O)O | 15584 | |
69 | | C5H6O6S | | C5H6O6S_0p_192.9804n_18.5_RB_BiocrustExp | | | 0.0 | 18.5005314 | 10.1038/ncomms9289 | | | | | |
70 | | C9H10O4 | | C9H10O4_0p_181.0496n_19.4_RB_BiocrustExp | | | 0.0 | 19.37678711 | 10.1038/ncomms9289 | | | | | |
71 | | C9H18O10S | | C9H18O10S_0p_317.0547n_19.5_RB_BiocrustExp | | | 0.0 | 19.51396754 | 10.1038/ncomms9289 | | | | | |
72 | | C9H18O11S | | C9H18O11S_0p_333.0505n_18.5_RB_BiocrustExp | | | 0.0 | 18.45056826 | 10.1038/ncomms9289 | | | | | |
73 | | NA | | Unk_0p_565.1012n_20.1_RB_BiocrustExp | | | 0.0 | 20.14143946 | 10.1038/ncomms9289 | | | | | |
74 | | C9H16O9 | | Hexosylglycerate | | | 0.0 | 19.50322195 | 10.1038/ncomms9289 | | | | | |
75 | | C15H22O3 | | C15H22O3_0p_249.149n_6_RB_BiocrustExp | | | 0.0 | 5.969846137 | 10.1038/ncomms9289 | | | | | |
76 | | NA | | Unk_0p_297.1528n_6.7_RB_BiocrustExp | | | 0.0 | 6.733929621 | 10.1038/ncomms9289 | | | | | |
77 | | C6H12N2O3 | | Ala-Ala | L-Alanyl-L-alanine | | 0.0 | 21.18900917 | 10.1038/ncomms9289 | 5484352 | DEFJQIDDEAULHB-IMJSIDKUSA-N | CC(C(=O)NC(C)C(=O)O)N | 72816 | CHEMONTID:0000013 |
78 | | NA | | (Glu-Val) | | | 0.0 | 19.38535361 | 10.1038/ncomms9289 | | | | | |
79 | | NA | | (Glu-Leu/Ile) | | | 0.0 | 18.91287561 | 10.1038/ncomms9289 | | | | | |
80 | | C8H14N2O5 | | (Glu-Ala) | | | 0.0 | 20.07904796 | 10.1038/ncomms9289 | | | | | |
81 | | C7H11NO5 | | acetylglutamate | 2-acetamidopentanedioic acid | | 0.0 | 19.51270137 | 10.1038/ncomms9289 | 185 | RFMMMVDNIPUKGG-UHFFFAOYSA-N | CC(=O)NC(CCC(=O)O)C(=O)O | 172431 | CHEMONTID:0000013 |
82 | | C10H13N5O4 | | Adenosine | adenosine | | 0.0 | 11.19858065 | 10.1038/ncomms9289 | 60961 | OIRDTQYFTABQOQ-KQYNXXCUSA-N | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | 16335 | |
83 | | C4H5N3O | | Cytosine | cytosine | | 0.0 | 15.08411745 | 10.1038/ncomms9289 | 597 | OPTASPLRGRRNAP-UHFFFAOYSA-N | C1=C(NC(=O)N=C1)N | 16040 | CHEMONTID:0000075 |
84 | | C8H20NO6P | | Glycerophosphocholine | Choline Alfoscerate | | 0.0 | 22.95167974 | 10.1038/ncomms9289 | 657272 | SUHOQUVVVLNYQR-MRVPVSSYSA-N | C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O | 16870 | |
85 | | C5H5N5O | | Guanine | guanine | | 0.0 | 16.1636023 | 10.1038/ncomms9289 | 135398634 | UYTPUPDQBNUYGX-UHFFFAOYSA-N | C1=NC2=C(N1)C(=O)NC(=N2)N | 16235 | |
86 | | C5H4N4O | | Hypoxanthine | hypoxanthine | | 0.0 | 13.16699898 | 10.1038/ncomms9289 | 135398638 | FDGQSTZJBFJUBT-UHFFFAOYSA-N | C1=NC2=C(N1)C(=O)NC=N2 | 17368 | |
87 | | C4H4N2O2 | | Uracil | uracil | | 0.0 | 8.179501093 | 10.1038/ncomms9289 | 1174 | ISAKRJDGNUQOIC-UHFFFAOYSA-N | C1=CNC(=O)NC1=O | 17568 | CHEMONTID:0000075 |
88 | | NA | | Unk_268.9986p_0n_43.8_RB_BiocrustExp | | | 0.0 | 43.81194641 | 10.1038/ncomms9289 | | | | | |
89 | | C9H20N2O2 | | C9H20N2O2_189.1596p_0n_33.5_RB_BiocrustExp | | | 0.0 | 33.45883707 | 10.1038/ncomms9289 | | | | | |
90 | | C11H23N3O2 | | C11H23N3O2_230.1837p_0n_30.7_RB_BiocrustExp | | | 0.0 | 30.6524654 | 10.1038/ncomms9289 | | | | | |
91 | | C7H15NO2 | | C7H15NO2_146.1187p_0n_25.5_RB_BiocrustExp | | | 0.0 | 25.4970163 | 10.1038/ncomms9289 | | | | | |
92 | | NA | | Unk_507.2632p_0n_30.1_RB_BiocrustExp | | | 0.0 | 30.07929212 | 10.1038/ncomms9289 | | | | | |
93 | | C10H20N4O4 | | C10H20N4O4_261.1555p_0n_27.8_RB_BiocrustExp | | | 0.0 | 27.79841822 | 10.1038/ncomms9289 | | | | | |
94 | | NA | | Unk_729.3423p_0n_28_RB_BiocrustExp | | | 0.0 | 28.02601466 | 10.1038/ncomms9289 | | | | | |
95 | | NA | | Unk_665.3125p_0n_28.1_RB_BiocrustExp | | | 0.0 | 28.07258547 | 10.1038/ncomms9289 | | | | | |
96 | | NA | | Unk_288.1902p_0n_25.8_RB_BiocrustExp | | | 0.0 | 25.82708231 | 10.1038/ncomms9289 | | | | | |
97 | | NA | | Unk_717.3086p_0n_27.1_RB_BiocrustExp | | | 0.0 | 27.05370664 | 10.1038/ncomms9289 | | | | | |
98 | | C9H18N2O4 | | C9H18N2O4_219.134p_0n_24.2_RB_BiocrustExp | | | 0.0 | 24.20965406 | 10.1038/ncomms9289 | | | | | |
99 | | C11H22N2O3 | | C11H22N2O3_231.1709p_0n_24_RB_BiocrustExp | | | 0.0 | 24.04633751 | 10.1038/ncomms9289 | | | | | |
100 | | C10H20N2O3 | | C10H20N2O3_217.1546p_0n_24.2_RB_BiocrustExp | | | 0.0 | 24.21213467 | 10.1038/ncomms9289 | | | | | |
101 | | NA | | Hexahexose (6Hex) | | | 0.0 | 23.67031682 | 10.1038/ncomms9289 | | | | | |
102 | | NA | | Unk_457.163p_0n_25.2_RB_BiocrustExp | | | 0.0 | 25.22644817 | 10.1038/ncomms9289 | | | | | |
103 | | NA | | Unk_401.1956p_0n_24.8_RB_BiocrustExp | | | 0.0 | 24.80753982 | 10.1038/ncomms9289 | | | | | |
104 | | NA | | 9Hex+C7H16O7 | | | 0.0 | 24.62257385 | 10.1038/ncomms9289 | | | | | |
105 | | NA | | Unk_263.1019p_0n_24.4_RB_BiocrustExp | | | 0.0 | 24.43387848 | 10.1038/ncomms9289 | | | | | |
106 | | NA | | Unk_216.125p_0n_23.2_RB_BiocrustExp | | | 0.0 | 23.19120672 | 10.1038/ncomms9289 | | | | | |
107 | | NA | | Pentahexose (5Hex) | | | 0.0 | 23.19214938 | 10.1038/ncomms9289 | | | | | |
108 | | NA | | Unk_129.0648p_0n_23.8_RB_BiocrustExp | | | 0.0 | 23.84261705 | 10.1038/ncomms9289 | | | | | |
109 | | C5H8N2O2 | | C5H8N2O2_129.0669p_0n_21.7_RB_BiocrustExp | | | 0.0 | 21.74597379 | 10.1038/ncomms9289 | | | | | |
110 | | C6H13N3O4 | | C6H13N3O4_192.0976p_0n_22_RB_BiocrustExp | | | 0.0 | 21.99409763 | 10.1038/ncomms9289 | | | | | |
111 | | C11H21N3O3 | | C11H21N3O3_244.1653p_0n_23.1_RB_BiocrustExp | | | 0.0 | 23.11940316 | 10.1038/ncomms9289 | | | | | |
112 | | C6H14N2O3S | | C6H14N2O3S_195.0817p_0n_23.1_RB_BiocrustExp | | | 0.0 | 23.12903379 | 10.1038/ncomms9289 | | | | | |
113 | | NA | | Histidine betaine | | | 0.0 | 23.26636769 | 10.1038/ncomms9289 | | | | | |
114 | | NA | | Unk_257.0965p_0n_24.6_RB_BiocrustExp | | | 0.0 | 24.64748605 | 10.1038/ncomms9289 | | | | | |
115 | | NA | | 8Hex+C7H16O7 | | | 0.0 | 24.37711543 | 10.1038/ncomms9289 | | | | | |
116 | | NA | | Unk_287.1359p_0n_23.2_RB_BiocrustExp | | | 0.0 | 23.18243916 | 10.1038/ncomms9289 | | | | | |
117 | | NA | | Unk_287.234p_0n_23.9_RB_BiocrustExp | | | 0.0 | 23.90044788 | 10.1038/ncomms9289 | | | | | |
118 | | NA | | Unk_354.1525p_0n_23.2_RB_BiocrustExp | | | 0.0 | 23.20098293 | 10.1038/ncomms9289 | | | | | |
119 | | NA | | Unk_117.1036p_0n_22.6_RB_BiocrustExp | | | 0.0 | 22.62515425 | 10.1038/ncomms9289 | | | | | |
120 | | NA | | Unk_494.3482p_0n_22.8_RB_BiocrustExp | | | 0.0 | 22.82712493 | 10.1038/ncomms9289 | | | | | |
121 | | NA | | Unk_340.142p_0n_23.2_RB_BiocrustExp | | | 0.0 | 23.17820206 | 10.1038/ncomms9289 | | | | | |
122 | | NA | | Unk_258.1483p_0n_22.6_RB_BiocrustExp | | | 0.0 | 22.60933403 | 10.1038/ncomms9289 | | | | | |
123 | | NA | | Unk_480.3311p_0n_22.4_RB_BiocrustExp | | | 0.0 | 22.36375354 | 10.1038/ncomms9289 | | | | | |
124 | | NA | | Unk_141.1142p_0n_21.5_RB_BiocrustExp | | | 0.0 | 21.53106894 | 10.1038/ncomms9289 | | | | | |
125 | | NA | | Unk_203.0569p_0n_22_RB_BiocrustExp | | | 0.0 | 22.01601806 | 10.1038/ncomms9289 | | | | | |
126 | | C9H18N2O3 | | C9H18N2O3_203.14p_0n_21.7_RB_BiocrustExp | | | 0.0 | 21.70319003 | 10.1038/ncomms9289 | | | | | |
127 | | C5H11N3O2 | | Guanidinobutanoate | | | 0.0 | 22.02491164 | 10.1038/ncomms9289 | | | | | |
128 | | NA | | Unk_275.1354p_0n_21.8_RB_BiocrustExp | | | 0.0 | 21.83909437 | 10.1038/ncomms9289 | | | | | |
129 | | NA | | Unk_274.1535p_0n_22.1_RB_BiocrustExp | | | 0.0 | 22.1049482 | 10.1038/ncomms9289 | | | | | |
130 | | C10H19N5O4 | | C10H19N5O4_274.1799p_0n_22.8_RB_BiocrustExp | | | 0.0 | 22.75685975 | 10.1038/ncomms9289 | | | | | |
131 | | C5H11NO3S | | Methionine sulfoxide | DL-Methionine sulfoxide | | 0.0 | 21.34289565 | 10.1038/ncomms9289 | 847 | QEFRNWWLZKMPFJ-UHFFFAOYSA-N | CS(=O)CCC(C(=O)O)N | 49033 | CHEMONTID:0000013 |
132 | | C7H14N2O3 | | C7H14N2O3_175.107p_0n_23.4_RB_BiocrustExp | | | 0.0 | 23.36727941 | 10.1038/ncomms9289 | | | | | |
133 | | NA | | Unk_513.1904p_0n_23.1_RB_BiocrustExp | | | 0.0 | 23.108973 | 10.1038/ncomms9289 | | | | | |
134 | | NA | | Unk_349.0974p_0n_22.8_RB_BiocrustExp | | | 0.0 | 22.76796047 | 10.1038/ncomms9289 | | | | | |
135 | | C7H14N2O3 | | acetylornithine | acetylornithine | | 0.0 | 22.23165396 | 10.1038/ncomms9289 | 6992102 | JRLGPAXAGHMNOL-LURJTMIESA-N | CC(=O)NC(CCC[NH3+])C(=O)[O-] | 57805 | |
136 | | C8H16N2O3 | | C8H16N2O3_189.1239p_0n_22.2_RB_BiocrustExp | | | 0.0 | 22.17204225 | 10.1038/ncomms9289 | | | | | |
137 | | NA | | Unk_288.1924p_0n_22.1_RB_BiocrustExp | | | 0.0 | 22.10954001 | 10.1038/ncomms9289 | | | | | |
138 | | NA | | Unk_459.1863p_0n_21.8_RB_BiocrustExp | | | 0.0 | 21.82824474 | 10.1038/ncomms9289 | | | | | |
139 | | NA | | Mercaptohistidine betaine | | | 0.0 | 21.7862962 | 10.1038/ncomms9289 | | | | | |
140 | | NA | | 2Hex+C7H16O7 | | | 0.0 | 21.66883447 | 10.1038/ncomms9289 | | | | | |
141 | | NA | | Unk_294.1098p_0n_22_RB_BiocrustExp | | | 0.0 | 22.02342697 | 10.1038/ncomms9289 | | | | | |
142 | | C8H15NO3 | | C8H15NO3_174.1125p_0n_21.4_RB_BiocrustExp | | | 0.0 | 21.44151512 | 10.1038/ncomms9289 | | | | | |
143 | | NA | | Unk_638.2512p_0n_21.5_RB_BiocrustExp | | | 0.0 | 21.53027388 | 10.1038/ncomms9289 | | | | | |
144 | | NA | | Unk_205.1196p_0n_20.9_RB_BiocrustExp | | | 0.0 | 20.85440816 | 10.1038/ncomms9289 | | | | | |
145 | | NA | | Unk_189.1215p_0n_20.5_RB_BiocrustExp | | | 0.0 | 20.47722525 | 10.1038/ncomms9289 | | | | | |
146 | | C6H13N3O2 | | C6H13N3O2_160.1095p_0n_20.9_RB_BiocrustExp | | | 0.0 | 20.92580304 | 10.1038/ncomms9289 | | | | | |
147 | | C5H9NO3 | | C5H9NO3_132.0651p_0n_20.4_RB_BiocrustExp | | | 0.0 | 20.43568024 | 10.1038/ncomms9289 | | | | | |
148 | | NA | | Unk_275.0227p_0n_20.6_RB_BiocrustExp | | | 0.0 | 20.56740824 | 10.1038/ncomms9289 | | | | | |
149 | | NA | | Unk_349.2046p_0n_21.1_RB_BiocrustExp | | | 0.0 | 21.07212261 | 10.1038/ncomms9289 | | | | | |
150 | | C7H14N2O3 | | C7H14N2O3_175.108p_0n_20.3_RB_BiocrustExp | | | 0.0 | 20.32135108 | 10.1038/ncomms9289 | | | | | |
151 | | C7H15N3O3 | | C7H15N3O3_190.1185p_0n_20.5_RB_BiocrustExp | | | 0.0 | 20.50902904 | 10.1038/ncomms9289 | | | | | |
152 | | NA | | Unk_218.1134p_0n_19.9_RB_BiocrustExp | | | 0.0 | 19.91367527 | 10.1038/ncomms9289 | | | | | |
153 | | C9H19O11P | | Glucosylglycerolphosphate | | | 0.0 | 19.7743394 | 10.1038/ncomms9289 | | | | | |
154 | | C10H20N4O3 | | C10H20N4O3_245.1637p_0n_19.7_RB_BiocrustExp | | | 0.0 | 19.67742464 | 10.1038/ncomms9289 | | | | | |
155 | | NA | | Unk_302.2132p_0n_20.9_RB_BiocrustExp | | | 0.0 | 20.94746911 | 10.1038/ncomms9289 | | | | | |
156 | | NA | | Unk_398.2081p_0n_20.9_RB_BiocrustExp | | | 0.0 | 20.8751631 | 10.1038/ncomms9289 | | | | | |
157 | | NA | | Unk_344.126p_0n_20_RB_BiocrustExp | | | 0.0 | 20.04631439 | 10.1038/ncomms9289 | | | | | |
158 | | NA | | Unk_428.2144p_0n_20.5_RB_BiocrustExp | | | 0.0 | 20.53417783 | 10.1038/ncomms9289 | | | | | |
159 | | C9H15N3O2 | | C9H15N3O2_198.1231p_0n_20.3_RB_BiocrustExp | | | 0.0 | 20.29294068 | 10.1038/ncomms9289 | | | | | |
160 | | C9H17NO3 | | C9H17NO3_188.128p_0n_21.3_RB_BiocrustExp | | | 0.0 | 21.29245855 | 10.1038/ncomms9289 | | | | | |
161 | | NA | | Unk_462.2196p_0n_21.3_RB_BiocrustExp | | | 0.0 | 21.26193062 | 10.1038/ncomms9289 | | | | | |
162 | | NA | | Unk_314.1781p_0n_21.1_RB_BiocrustExp | | | 0.0 | 21.06021308 | 10.1038/ncomms9289 | | | | | |
163 | | NA | | Unk_774.252p_0n_20.8_RB_BiocrustExp | | | 0.0 | 20.80003857 | 10.1038/ncomms9289 | | | | | |
164 | | NA | | Unk_310.1757p_0n_23.4_RB_BiocrustExp | | | 0.0 | 23.38466167 | 10.1038/ncomms9289 | | | | | |
165 | | NA | | Unk_112.0769p_0n_20.5_RB_BiocrustExp | | | 0.0 | 20.47133038 | 10.1038/ncomms9289 | | | | | |
166 | | C13H21N3O3 | | C13H21N3O3_268.1669p_0n_20.3_RB_BiocrustExp | | | 0.0 | 20.26290334 | 10.1038/ncomms9289 | | | | | |
167 | | C6H15NO2 | | C6H15NO2_134.1175p_0n_20.1_RB_BiocrustExp | | | 0.0 | 20.09219392 | 10.1038/ncomms9289 | | | | | |
168 | | NA | | Unk_215.0154p_0n_20.6_RB_BiocrustExp | | | 0.0 | 20.60487873 | 10.1038/ncomms9289 | | | | | |
169 | | C10H18N2O6S | | Glu-methionine sulfoxide | | | 0.0 | 20.10542638 | 10.1038/ncomms9289 | | | | | |
170 | | NA | | Unk_335.0713p_0n_20.2_RB_BiocrustExp | | | 0.0 | 20.20896792 | 10.1038/ncomms9289 | | | | | |
171 | | NA | | Unk_381.1503p_0n_19.7_RB_BiocrustExp | | | 0.0 | 19.74782109 | 10.1038/ncomms9289 | | | | | |
172 | | NA | | Unk_403.1335p_0n_19.7_RB_BiocrustExp | | | 0.0 | 19.73377716 | 10.1038/ncomms9289 | | | | | |
173 | | C8H16N2O3 | | acetyllysine | 692-04-6 | | 0.0 | 19.66185077 | 10.1038/ncomms9289 | 92832 | DTERQYGMUDWYAZ-ZETCQYMHSA-N | CC(=O)NCCCCC(C(=O)O)N | 17752 | CHEMONTID:0000013 |
174 | | C5H11NO2 | | Glycine betaine | betaine | | 0.0 | 19.55367152 | 10.1038/ncomms9289 | 247 | KWIUHFFTVRNATP-UHFFFAOYSA-N | C[N+](C)(C)CC(=O)[O-] | 17750 | CHEMONTID:0000013 |
175 | | NA | | Unk_316.1329p_0n_19.4_RB_BiocrustExp | | | 0.0 | 19.39450784 | 10.1038/ncomms9289 | | | | | |
176 | | NA | | Unk_149.0895p_0n_19.3_RB_BiocrustExp | | | 0.0 | 19.30863308 | 10.1038/ncomms9289 | | | | | |
177 | | NA | | Unk_204.0431p_0n_19.4_RB_BiocrustExp | | | 0.0 | 19.44918962 | 10.1038/ncomms9289 | | | | | |
178 | | NA | | Unk_302.1171p_0n_19.6_RB_BiocrustExp | | | 0.0 | 19.59845621 | 10.1038/ncomms9289 | | | | | |
179 | | C6H10N2O3 | | C6H10N2O3_159.0721p_0n_19.7_RB_BiocrustExp | | | 0.0 | 19.69053394 | 10.1038/ncomms9289 | | | | | |
180 | | C6H12N2O3 | | C6H12N2O3_161.0906p_0n_20.1_RB_BiocrustExp | | | 0.0 | 20.06076498 | 10.1038/ncomms9289 | | | | | |
181 | | NA | | Oligosaccharide | | | 0.0 | 20.1280444 | 10.1038/ncomms9289 | | | | | |
182 | | NA | | Unk_174.1221p_0n_20.1_RB_BiocrustExp | | | 0.0 | 20.11060539 | 10.1038/ncomms9289 | | | | | |
183 | | NA | | Unk_231.1424p_0n_20.1_RB_BiocrustExp | | | 0.0 | 20.06061412 | 10.1038/ncomms9289 | | | | | |
184 | | NA | | Unk_360.1249p_0n_20_RB_BiocrustExp | | | 0.0 | 19.9860244 | 10.1038/ncomms9289 | | | | | |
185 | | NA | | Unk_300.103p_0n_20.1_RB_BiocrustExp | | | 0.0 | 20.08097584 | 10.1038/ncomms9289 | | | | | |
186 | | C9H18N2O5 | | C9H18N2O5_235.1288p_0n_20.1_RB_BiocrustExp | | | 0.0 | 20.08742421 | 10.1038/ncomms9289 | | | | | |
187 | | NA | | Unk_254.0832p_0n_20.4_RB_BiocrustExp | | | 0.0 | 20.40482592 | 10.1038/ncomms9289 | | | | | |
188 | | NA | | Unk_291.0684p_0n_19.6_RB_BiocrustExp | | | 0.0 | 19.62347564 | 10.1038/ncomms9289 | | | | | |
189 | | NA | | Unk_217.1173p_0n_19.6_RB_BiocrustExp | | | 0.0 | 19.55488011 | 10.1038/ncomms9289 | | | | | |
190 | | C15H29O16P | | C15H29O16P_497.1291p_0n_19.9_RB_BiocrustExp | | | 0.0 | 19.8786795 | 10.1038/ncomms9289 | | | | | |
191 | | NA | | Unk_230.0959p_0n_19.8_RB_BiocrustExp | | | 0.0 | 19.79978766 | 10.1038/ncomms9289 | | | | | |
192 | | NA | | Unk_286.1223p_0n_18.5_RB_BiocrustExp | | | 0.0 | 18.50064735 | 10.1038/ncomms9289 | | | | | |
193 | | NA | | Unk_244.1113p_0n_19.3_RB_BiocrustExp | | | 0.0 | 19.3041184 | 10.1038/ncomms9289 | | | | | |
194 | | NA | | Unk_298.1221p_0n_19.2_RB_BiocrustExp | | | 0.0 | 19.17973256 | 10.1038/ncomms9289 | | | | | |
195 | | NA | | Unk_371.1806p_0n_19.2_RB_BiocrustExp | | | 0.0 | 19.17646455 | 10.1038/ncomms9289 | | | | | |
196 | | C6H11NO2 | | Pipecolic acid | piperidine-2-carboxylic acid | | 0.0 | 19.14296871 | 10.1038/ncomms9289 | 849 | HXEACLLIILLPRG-UHFFFAOYSA-N | C1CCNC(C1)C(=O)O | 17964 | CHEMONTID:0000013 |
197 | | NA | | Unk_276.1001p_0n_18.5_RB_BiocrustExp | | | 0.0 | 18.50362788 | 10.1038/ncomms9289 | | | | | |
198 | | NA | | Unk_120.0649p_0n_17.7_RB_BiocrustExp | | | 0.0 | 17.70117355 | 10.1038/ncomms9289 | | | | | |
199 | | NA | | Unk_302.1972p_0n_18_RB_BiocrustExp | | | 0.0 | 17.95039085 | 10.1038/ncomms9289 | | | | | |
200 | | C6H8N2O2 | | C6H8N2O2_141.0657p_0n_18.9_RB_BiocrustExp | | | 0.0 | 18.88164094 | 10.1038/ncomms9289 | | | | | |
201 | | NA | | Unk_233.0618p_0n_18.5_RB_BiocrustExp | | | 0.0 | 18.49508291 | 10.1038/ncomms9289 | | | | | |
202 | | NA | | Unk_298.1223p_0n_17.8_RB_BiocrustExp | | | 0.0 | 17.84085129 | 10.1038/ncomms9289 | | | | | |
203 | | C6H6N2O2 | | Urocanic acid | urocanic acid | | 0.0 | 18.04486762 | 10.1038/ncomms9289 | 736715 | LOIYMIARKYCTBW-OWOJBTEDSA-N | C1=C(NC=N1)C=CC(=O)O | 27248 | CHEMONTID:0000078 |
204 | | NA | | Unk_276.1059p_0n_17.2_RB_BiocrustExp | | | 0.0 | 17.15171929 | 10.1038/ncomms9289 | | | | | |
205 | | C11H17NO7 | | C11H17NO7_276.1152p_0n_16.5_RB_BiocrustExp | | | 0.0 | 16.49534117 | 10.1038/ncomms9289 | | | | | |
206 | | NA | | Unk_253.0869p_0n_16.8_RB_BiocrustExp | | | 0.0 | 16.81695338 | 10.1038/ncomms9289 | | | | | |
207 | | NA | | Unk_330.1445p_0n_17.2_RB_BiocrustExp | | | 0.0 | 17.24349379 | 10.1038/ncomms9289 | | | | | |
208 | | NA | | Unk_354.1542p_0n_17.2_RB_BiocrustExp | | | 0.0 | 17.23652389 | 10.1038/ncomms9289 | | | | | |
209 | | NA | | Unk_328.137p_0n_17_RB_BiocrustExp | | | 0.0 | 16.99122304 | 10.1038/ncomms9289 | | | | | |
210 | | NA | | Unk_356.1625p_0n_16.9_RB_BiocrustExp | | | 0.0 | 16.86568457 | 10.1038/ncomms9289 | | | | | |
211 | | C6H12N2O3 | | C6H12N2O3_161.0928p_0n_16.9_RB_BiocrustExp | | | 0.0 | 16.94369214 | 10.1038/ncomms9289 | | | | | |
212 | | NA | | Unk_312.1457p_0n_17.8_RB_BiocrustExp | | | 0.0 | 17.76097812 | 10.1038/ncomms9289 | | | | | |
213 | | NA | | Unk_159.0791p_0n_17.5_RB_BiocrustExp | | | 0.0 | 17.51418719 | 10.1038/ncomms9289 | | | | | |
214 | | NA | | Unk_134.0296p_0n_17.7_RB_BiocrustExp | | | 0.0 | 17.71685102 | 10.1038/ncomms9289 | | | | | |
215 | | NA | | Unk_342.1577p_0n_17.6_RB_BiocrustExp | | | 0.0 | 17.61369093 | 10.1038/ncomms9289 | | | | | |
216 | | NA | | Unk_167.0515p_0n_17.5_RB_BiocrustExp | | | 0.0 | 17.52959461 | 10.1038/ncomms9289 | | | | | |
217 | | NA | | Unk_118.1224p_0n_17_RB_BiocrustExp | | | 0.0 | 17.03639273 | 10.1038/ncomms9289 | | | | | |
218 | | C11H23NO2 | | C11H23NO2_202.1758p_0n_16.4_RB_BiocrustExp | | | 0.0 | 16.42068962 | 10.1038/ncomms9289 | | | | | |
219 | | NA | | Unk_344.157p_0n_16.9_RB_BiocrustExp | | | 0.0 | 16.89742783 | 10.1038/ncomms9289 | | | | | |
220 | | C10H20N2O | | C10H20N2O_185.1633p_0n_16.7_RB_BiocrustExp | | | 0.0 | 16.65821243 | 10.1038/ncomms9289 | | | | | |
221 | | NA | | Unk_204.0869p_0n_16.9_RB_BiocrustExp | | | 0.0 | 16.86498874 | 10.1038/ncomms9289 | | | | | |
222 | | NA | | Leucine/Isoleucine | | | 0.0 | 16.75943339 | 10.1038/ncomms9289 | | | | | |
223 | | NA | | Unk_158.1507p_0n_16.3_RB_BiocrustExp | | | 0.0 | 16.25975285 | 10.1038/ncomms9289 | | | | | |
224 | | NA | | Unk_625.2631p_0n_15.4_RB_BiocrustExp | | | 0.0 | 15.39599358 | 10.1038/ncomms9289 | | | | | |
225 | | C9H18N2O | | C9H18N2O_171.1499p_0n_15.5_RB_BiocrustExp | | | 0.0 | 15.50307602 | 10.1038/ncomms9289 | | | | | |
226 | | NA | | Unk_164.054p_0n_14.4_RB_BiocrustExp | | | 0.0 | 14.41247999 | 10.1038/ncomms9289 | | | | | |
227 | | NA | | Unk_1152.645p_0n_14.6_RB_BiocrustExp | | | 0.0 | 14.59570557 | 10.1038/ncomms9289 | | | | | |
228 | | NA | | Unk_304.2808p_0n_13.1_RB_BiocrustExp | | | 0.0 | 13.12848593 | 10.1038/ncomms9289 | | | | | |
229 | | NA | | Unk_746.4142p_0n_17.1_RB_BiocrustExp | | | 0.0 | 17.08140955 | 10.1038/ncomms9289 | | | | | |
230 | | NA | | Unk_212.094p_0n_17.4_RB_BiocrustExp | | | 0.0 | 17.35328634 | 10.1038/ncomms9289 | | | | | |
231 | | NA | | Unk_314.1428p_0n_16.4_RB_BiocrustExp | | | 0.0 | 16.36576961 | 10.1038/ncomms9289 | | | | | |
232 | | C14H23N3O3S | | C14H23N3O3S_314.1542p_0n_16.1_RB_BiocrustExp | | | 0.0 | 16.09355443 | 10.1038/ncomms9289 | | | | | |
233 | | NA | | Unk_271.1234p_0n_16.3_RB_BiocrustExp | | | 0.0 | 16.31228392 | 10.1038/ncomms9289 | | | | | |
234 | | NA | | Unk_303.1299p_0n_16.4_RB_BiocrustExp | | | 0.0 | 16.35182219 | 10.1038/ncomms9289 | | | | | |
235 | | NA | | Unk_398.1758p_0n_16_RB_BiocrustExp | | | 0.0 | 16.01680261 | 10.1038/ncomms9289 | | | | | |
236 | | NA | | Unk_209.1103p_0n_16.4_RB_BiocrustExp | | | 0.0 | 16.43364716 | 10.1038/ncomms9289 | | | | | |
237 | | NA | | Unk_195.0251p_0n_15.8_RB_BiocrustExp | | | 0.0 | 15.84239299 | 10.1038/ncomms9289 | | | | | |
238 | | NA | | Unk_603.2775p_0n_15.3_RB_BiocrustExp | | | 0.0 | 15.34177345 | 10.1038/ncomms9289 | | | | | |
239 | | NA | | Unk_141.0544p_0n_15.7_RB_BiocrustExp | | | 0.0 | 15.73609406 | 10.1038/ncomms9289 | | | | | |
240 | | NA | | Unk_168.0624p_0n_15.2_RB_BiocrustExp | | | 0.0 | 15.15616391 | 10.1038/ncomms9289 | | | | | |
241 | | NA | | Unk_588.2905p_0n_15.2_RB_BiocrustExp | | | 0.0 | 15.16518977 | 10.1038/ncomms9289 | | | | | |
242 | | NA | | Unk_186.0703p_0n_15.2_RB_BiocrustExp | | | 0.0 | 15.15042097 | 10.1038/ncomms9289 | | | | | |
243 | | NA | | Unk_180.1021p_0n_15.2_RB_BiocrustExp | | | 0.0 | 15.16775007 | 10.1038/ncomms9289 | | | | | |
244 | | NA | | Unk_199.1804p_0n_16.4_RB_BiocrustExp | | | 0.0 | 16.40006691 | 10.1038/ncomms9289 | | | | | |
245 | | NA | | Unk_220.1148p_0n_16.4_RB_BiocrustExp | | | 0.0 | 16.38118939 | 10.1038/ncomms9289 | | | | | |
246 | | NA | | Unk_239.2059p_0n_16.1_RB_BiocrustExp | | | 0.0 | 16.12974161 | 10.1038/ncomms9289 | | | | | |
247 | | NA | | Unk_263.2126p_0n_15.7_RB_BiocrustExp | | | 0.0 | 15.69198268 | 10.1038/ncomms9289 | | | | | |
248 | | NA | | Unk_177.0887p_0n_15.8_RB_BiocrustExp | | | 0.0 | 15.80070454 | 10.1038/ncomms9289 | | | | | |
249 | | NA | | Unk_144.0798p_0n_15.8_RB_BiocrustExp | | | 0.0 | 15.83735365 | 10.1038/ncomms9289 | | | | | |
250 | | NA | | Unk_259.1094p_0n_15.4_RB_BiocrustExp | | | 0.0 | 15.35971277 | 10.1038/ncomms9289 | | | | | |
251 | | NA | | Unk_276.1031p_0n_15.3_RB_BiocrustExp | | | 0.0 | 15.30771607 | 10.1038/ncomms9289 | | | | | |
252 | | NA | | Unk_234.1266p_0n_15.2_RB_BiocrustExp | | | 0.0 | 15.17028663 | 10.1038/ncomms9289 | | | | | |
253 | | NA | | Unk_116.0679p_0n_15.3_RB_BiocrustExp | | | 0.0 | 15.25454294 | 10.1038/ncomms9289 | | | | | |
254 | | NA | | Unk_281.1501p_0n_16_RB_BiocrustExp | | | 0.0 | 16.00156513 | 10.1038/ncomms9289 | | | | | |
255 | | NA | | Unk_142.0865p_0n_15.1_RB_BiocrustExp | | | 0.0 | 15.05740458 | 10.1038/ncomms9289 | | | | | |
256 | | C27H50O12 | | C27H50O12_584.3612p_0n_14.5_RB_BiocrustExp | | | 0.0 | 14.50250649 | 10.1038/ncomms9289 | | | | | |
257 | | C34H62O17 | | C34H62O17_760.4323p_0n_14.7_RB_BiocrustExp | | | 0.0 | 14.73398205 | 10.1038/ncomms9289 | | | | | |
258 | | NA | | Unk_484.2498p_0n_14.8_RB_BiocrustExp | | | 0.0 | 14.78207768 | 10.1038/ncomms9289 | | | | | |
259 | | NA | | Unk_183.0975p_0n_14.5_RB_BiocrustExp | | | 0.0 | 14.50646545 | 10.1038/ncomms9289 | | | | | |
260 | | C10H7NO3 | | C10H7NO3_190.0461p_0n_14.7_RB_BiocrustExp | | | 0.0 | 14.68898235 | 10.1038/ncomms9289 | | | | | |
261 | | NA | | Unk_220.1185p_0n_14.8_RB_BiocrustExp | | | 0.0 | 14.82717857 | 10.1038/ncomms9289 | | | | | |
262 | | NA | | Unk_166.0716p_0n_14.5_RB_BiocrustExp | | | 0.0 | 14.50007358 | 10.1038/ncomms9289 | | | | | |
263 | | NA | | Unk_129.0623p_0n_14.3_RB_BiocrustExp | | | 0.0 | 14.32667348 | 10.1038/ncomms9289 | | | | | |
264 | | C11H15N5O5 | | Methylguanosine | | | 0.0 | 14.35574836 | 10.1038/ncomms9289 | | | | | |
265 | | NA | | Unk_290.2675p_0n_13.9_RB_BiocrustExp | | | 0.0 | 13.91598342 | 10.1038/ncomms9289 | | | | | |
266 | | NA | | Unk_182.0645p_0n_14.1_RB_BiocrustExp | | | 0.0 | 14.10072994 | 10.1038/ncomms9289 | | | | | |
267 | | NA | | Unk_130.1592p_0n_13.4_RB_BiocrustExp | | | 0.0 | 13.41529524 | 10.1038/ncomms9289 | | | | | |
268 | | C6H7N5O | | Methylguanine | 2-Amino-6-methoxypurine | | 0.0 | 13.36129381 | 10.1038/ncomms9289 | 65275 | BXJHWYVXLGLDMZ-UHFFFAOYSA-N | COC1=NC(=NC2=C1NC=N2)N | 20689 | CHEMONTID:0000245 |
269 | | C4H4N2O2 | | C4H4N2O2_113.0341p_0n_13.4_RB_BiocrustExp | | | 0.0 | 13.41793694 | 10.1038/ncomms9289 | | | | | |
270 | | NA | | Unk_758.5627p_0n_13.4_RB_BiocrustExp | | | 0.0 | 13.42940883 | 10.1038/ncomms9289 | | | | | |
271 | | NA | | Unk_242.2861p_0n_13.1_RB_BiocrustExp | | | 0.0 | 13.07729382 | 10.1038/ncomms9289 | | | | | |
272 | | NA | | Unk_242.1024p_0n_13.3_RB_BiocrustExp | | | 0.0 | 13.33378991 | 10.1038/ncomms9289 | | | | | |
273 | | NA | | Unk_800.6217p_0n_13.4_RB_BiocrustExp | | | 0.0 | 13.37551119 | 10.1038/ncomms9289 | | | | | |
274 | | NA | | Unk_270.3165p_0n_12.9_RB_BiocrustExp | | | 0.0 | 12.9276166 | 10.1038/ncomms9289 | | | | | |
275 | | NA | | Unk_272.1864p_0n_13.4_RB_BiocrustExp | | | 0.0 | 13.41188019 | 10.1038/ncomms9289 | | | | | |
276 | | NA | | Unk_666.3639p_0n_13.4_RB_BiocrustExp | | | 0.0 | 13.43965482 | 10.1038/ncomms9289 | | | | | |
277 | | NA | | Unk_772.5796p_0n_13.3_RB_BiocrustExp | | | 0.0 | 13.2717118 | 10.1038/ncomms9289 | | | | | |
278 | | NA | | Unk_668.3243p_0n_13.5_RB_BiocrustExp | | | 0.0 | 13.5266397 | 10.1038/ncomms9289 | | | | | |
279 | | NA | | Unk_786.5917p_0n_13.4_RB_BiocrustExp | | | 0.0 | 13.36180746 | 10.1038/ncomms9289 | | | | | |
280 | | NA | | Unk_670.4018p_0n_13.2_RB_BiocrustExp | | | 0.0 | 13.20463468 | 10.1038/ncomms9289 | | | | | |
281 | | NA | | Unk_694.3979p_0n_13.3_RB_BiocrustExp | | | 0.0 | 13.26419808 | 10.1038/ncomms9289 | | | | | |
282 | | NA | | Unk_696.4193p_0n_13.1_RB_BiocrustExp | | | 0.0 | 13.14627688 | 10.1038/ncomms9289 | | | | | |
283 | | NA | | Unk_103.954p_0n_13_RB_BiocrustExp | | | 0.0 | 12.98170792 | 10.1038/ncomms9289 | | | | | |
284 | | NA | | Unk_658.4025p_0n_12.9_RB_BiocrustExp | | | 0.0 | 12.94796267 | 10.1038/ncomms9289 | | | | | |
285 | | C12H25NO2 | | C12H25NO2_216.1965p_0n_12.4_RB_BiocrustExp | | | 0.0 | 12.39143005 | 10.1038/ncomms9289 | | | | | |
286 | | NA | | Unk_178.0751p_0n_12.8_RB_BiocrustExp | | | 0.0 | 12.77122497 | 10.1038/ncomms9289 | | | | | |
287 | | NA | | Unk_131.0701p_0n_15_RB_BiocrustExp | | | 0.0 | 14.99364625 | 10.1038/ncomms9289 | | | | | |
288 | | NA | | Unk_276.107p_0n_14.9_RB_BiocrustExp | | | 0.0 | 14.86351802 | 10.1038/ncomms9289 | | | | | |
289 | | NA | | Unk_291.0469p_0n_14.8_RB_BiocrustExp | | | 0.0 | 14.77046706 | 10.1038/ncomms9289 | | | | | |
290 | | NA | | Unk_138.0549p_0n_14.3_RB_BiocrustExp | | | 0.0 | 14.3320252 | 10.1038/ncomms9289 | | | | | |
291 | | NA | | Unk_728.4062p_0n_14.5_RB_BiocrustExp | | | 0.0 | 14.45573748 | 10.1038/ncomms9289 | | | | | |
292 | | NA | | Unk_538.3202p_0n_14.2_RB_BiocrustExp | | | 0.0 | 14.20569628 | 10.1038/ncomms9289 | | | | | |
293 | | NA | | Unk_321.1524p_0n_14.1_RB_BiocrustExp | | | 0.0 | 14.05947393 | 10.1038/ncomms9289 | | | | | |
294 | | NA | | Unk_85.0299p_0n_14.3_RB_BiocrustExp | | | 0.0 | 14.28717883 | 10.1038/ncomms9289 | | | | | |
295 | | NA | | Unk_325.2007p_0n_13.5_RB_BiocrustExp | | | 0.0 | 13.46536439 | 10.1038/ncomms9289 | | | | | |
296 | | C5H7N3O | | Methylcytosine | 1-Methylcytosine | | 0.0 | 13.8266883 | 10.1038/ncomms9289 | 79143 | HWPZZUQOWRWFDB-UHFFFAOYSA-N | CN1C=CC(=NC1=O)N | 39624 | CHEMONTID:0000075 |
297 | | NA | | Unk_760.5834p_0n_13.5_RB_BiocrustExp | | | 0.0 | 13.45498346 | 10.1038/ncomms9289 | | | | | |
298 | | NA | | Unk_181.0595p_0n_13.8_RB_BiocrustExp | | | 0.0 | 13.75926008 | 10.1038/ncomms9289 | | | | | |
299 | | NA | | Unk_342.1752p_0n_13.3_RB_BiocrustExp | | | 0.0 | 13.3249182 | 10.1038/ncomms9289 | | | | | |
300 | | NA | | Unk_531.2464p_0n_13.2_RB_BiocrustExp | | | 0.0 | 13.16987232 | 10.1038/ncomms9289 | | | | | |
301 | | NA | | Unk_744.425p_0n_13_RB_BiocrustExp | | | 0.0 | 13.01027334 | 10.1038/ncomms9289 | | | | | |
302 | | NA | | Unk_686.4334p_0n_12.9_RB_BiocrustExp | | | 0.0 | 12.93316428 | 10.1038/ncomms9289 | | | | | |
303 | | NA | | Unk_910.6489p_0n_12.7_RB_BiocrustExp | | | 0.0 | 12.67986957 | 10.1038/ncomms9289 | | | | | |
304 | | NA | | Unk_141.0579p_0n_12_RB_BiocrustExp | | | 0.0 | 11.96654273 | 10.1038/ncomms9289 | | | | | |
305 | | NA | | Unk_202.2159p_0n_12.5_RB_BiocrustExp | | | 0.0 | 12.46627391 | 10.1038/ncomms9289 | | | | | |
306 | | NA | | Unk_202.2174p_0n_11.4_RB_BiocrustExp | | | 0.0 | 11.40756259 | 10.1038/ncomms9289 | | | | | |
307 | | NA | | Unk_159.0618p_0n_12.1_RB_BiocrustExp | | | 0.0 | 12.11583998 | 10.1038/ncomms9289 | | | | | |
308 | | NA | | Unk_742.425p_0n_12.1_RB_BiocrustExp | | | 0.0 | 12.05711576 | 10.1038/ncomms9289 | | | | | |
309 | | NA | | Unk_288.2915p_0n_12.1_RB_BiocrustExp | | | 0.0 | 12.13511714 | 10.1038/ncomms9289 | | | | | |
310 | | C5H8N2O2 | | C5H8N2O2_129.0666p_0n_11.3_RB_BiocrustExp | | | 0.0 | 11.28304701 | 10.1038/ncomms9289 | | | | | |
311 | | NA | | Unk_855.4774p_0n_11.7_RB_BiocrustExp | | | 0.0 | 11.69946136 | 10.1038/ncomms9289 | | | | | |
312 | | C5H7N3O | | C5H7N3O_126.0666p_0n_11.3_RB_BiocrustExp | | | 0.0 | 11.33170925 | 10.1038/ncomms9289 | | | | | |
313 | | NA | | Unk_854.4743p_0n_11.9_RB_BiocrustExp | | | 0.0 | 11.93229114 | 10.1038/ncomms9289 | | | | | |
314 | | NA | | Unk_186.2228p_0n_11_RB_BiocrustExp | | | 0.0 | 11.01030063 | 10.1038/ncomms9289 | | | | | |
315 | | C6H6N4O | | C6H6N4O_151.0613p_0n_11.2_RB_BiocrustExp | | | 0.0 | 11.21132043 | 10.1038/ncomms9289 | | | | | |
316 | | NA | | Unk_998.6661p_0n_10.6_RB_BiocrustExp | | | 0.0 | 10.61603474 | 10.1038/ncomms9289 | | | | | |
317 | | NA | | Unk_271.1657p_0n_10.1_RB_BiocrustExp | | | 0.0 | 10.13742243 | 10.1038/ncomms9289 | | | | | |
318 | | NA | | Unk_116.0709p_0n_9.7_RB_BiocrustExp | | | 0.0 | 9.744256916 | 10.1038/ncomms9289 | | | | | |
319 | | NA | | Unk_86.0608p_0n_10.5_RB_BiocrustExp | | | 0.0 | 10.5173335 | 10.1038/ncomms9289 | | | | | |
320 | | NA | | Unk_222.0989p_0n_9.7_RB_BiocrustExp | | | 0.0 | 9.746481581 | 10.1038/ncomms9289 | | | | | |
321 | | NA | | Unk_398.2028p_0n_9.8_RB_BiocrustExp | | | 0.0 | 9.794289356 | 10.1038/ncomms9289 | | | | | |
322 | | NA | | Unk_257.1855p_0n_11.1_RB_BiocrustExp | | | 0.0 | 11.08136344 | 10.1038/ncomms9289 | | | | | |
323 | | NA | | Unk_484.2587p_0n_10.3_RB_BiocrustExp | | | 0.0 | 10.3102615 | 10.1038/ncomms9289 | | | | | |
324 | | NA | | Unk_433.1685p_0n_10.3_RB_BiocrustExp | | | 0.0 | 10.25032675 | 10.1038/ncomms9289 | | | | | |
325 | | NA | | Unk_298.1133p_0n_10.1_RB_BiocrustExp | | | 0.0 | 10.14284342 | 10.1038/ncomms9289 | | | | | |
326 | | C9H18N2O2 | | C9H18N2O2_187.1452p_0n_10.3_RB_BiocrustExp | | | 0.0 | 10.31797274 | 10.1038/ncomms9289 | | | | | |
327 | | C6H7NO2 | | C6H7NO2_126.0558p_0n_8.9_RB_BiocrustExp | | | 0.0 | 8.892593345 | 10.1038/ncomms9289 | | | | | |
328 | | NA | | Unk_662.4849p_0n_8.6_RB_BiocrustExp | | | 0.0 | 8.586749113 | 10.1038/ncomms9289 | | | | | |
329 | | NA | | Unk_290.2663p_0n_8_RB_BiocrustExp | | | 0.0 | 8.035293439 | 10.1038/ncomms9289 | | | | | |
330 | | NA | | Unk_928.6022p_0n_8_RB_BiocrustExp | | | 0.0 | 7.990025084 | 10.1038/ncomms9289 | | | | | |
331 | | NA | | Unk_163.1074p_0n_8_RB_BiocrustExp | | | 0.0 | 8.014897797 | 10.1038/ncomms9289 | | | | | |
332 | | NA | | Unk_288.2928p_0n_9.9_RB_BiocrustExp | | | 0.0 | 9.885671915 | 10.1038/ncomms9289 | | | | | |
333 | | NA | | Unk_167.0917p_0n_9.4_RB_BiocrustExp | | | 0.0 | 9.360925982 | 10.1038/ncomms9289 | | | | | |
334 | | C6H7N5 | | Methyladenine | 2-Methyl-1H-purin-6-amine | | 0.0 | 9.084873935 | 10.1038/ncomms9289 | 15048 | SMADWRYCYBUIKH-UHFFFAOYSA-N | CC1=NC(=C2C(=N1)N=CN2)N | 0 | CHEMONTID:0000245 |
335 | | NA | | Unk_570.3509p_0n_9_RB_BiocrustExp | | | 0.0 | 9.003781895 | 10.1038/ncomms9289 | | | | | |
336 | | NA | | Unk_522.6061p_0n_8.1_RB_BiocrustExp | | | 0.0 | 8.091006057 | 10.1038/ncomms9289 | | | | | |
337 | | NA | | Unk_298.1028p_0n_8_RB_BiocrustExp | | | 0.0 | 7.978698848 | 10.1038/ncomms9289 | | | | | |
338 | | NA | | Unk_298.1294p_0n_7.9_RB_BiocrustExp | | | 0.0 | 7.946858925 | 10.1038/ncomms9289 | | | | | |
339 | | C9H17NO | | C9H17NO_156.1381p_0n_7.8_RB_BiocrustExp | | | 0.0 | 7.839540606 | 10.1038/ncomms9289 | | | | | |
340 | | C8H15O8 | | C8H15O8_195.1223p_0n_7.8_RB_BiocrustExp | | | 0.0 | 7.846281424 | 10.1038/ncomms9289 | | | | | |
341 | | NA | | Unk_181.0945p_0n_6.1_RB_BiocrustExp | | | 0.0 | 6.090096237 | 10.1038/ncomms9289 | | | | | |
342 | | NA | | Unk_181.0244p_0n_7.7_RB_BiocrustExp | | | 0.0 | 7.718439143 | 10.1038/ncomms9289 | | | | | |
343 | | NA | | Unk_534.3642p_0n_7.9_RB_BiocrustExp | | | 0.0 | 7.938098048 | 10.1038/ncomms9289 | | | | | |
344 | | NA | | Unk_764.5344p_0n_7.4_RB_BiocrustExp | | | 0.0 | 7.396281402 | 10.1038/ncomms9289 | | | | | |
345 | | C12H23NO | | C12H23NO_198.1841p_0n_7.2_RB_BiocrustExp | | | 0.0 | 7.218770773 | 10.1038/ncomms9289 | | | | | |
346 | | NA | | Unk_796.5885p_0n_6.9_RB_BiocrustExp | | | 0.0 | 6.948228335 | 10.1038/ncomms9289 | | | | | |
347 | | NA | | Unk_766.5446p_0n_7.3_RB_BiocrustExp | | | 0.0 | 7.338013556 | 10.1038/ncomms9289 | | | | | |
348 | | NA | | Unk_768.5613p_0n_7.3_RB_BiocrustExp | | | 0.0 | 7.2762389 | 10.1038/ncomms9289 | | | | | |
349 | | NA | | Unk_794.5718p_0n_7.2_RB_BiocrustExp | | | 0.0 | 7.245813816 | 10.1038/ncomms9289 | | | | | |
350 | | NA | | Unk_504.3179p_0n_5.8_RB_BiocrustExp | | | 0.0 | 5.832598841 | 10.1038/ncomms9289 | | | | | |
351 | | NA | | Unk_522.5901p_0n_4.9_RB_BiocrustExp | | | 0.0 | 4.890901439 | 10.1038/ncomms9289 | | | | | |
352 | | NA | | Unk_240.1709p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.54779907 | 10.1038/ncomms9289 | | | | | |
353 | | NA | | Unk_930.6262p_0n_4.6_RB_BiocrustExp | | | 0.0 | 4.630404538 | 10.1038/ncomms9289 | | | | | |
354 | | NA | | Unk_284.2019p_0n_4.6_RB_BiocrustExp | | | 0.0 | 4.61265486 | 10.1038/ncomms9289 | | | | | |
355 | | NA | | Unk_239.146p_0n_4.7_RB_BiocrustExp | | | 0.0 | 4.657960306 | 10.1038/ncomms9289 | | | | | |
356 | | NA | | Unk_766.5415p_0n_4.3_RB_BiocrustExp | | | 0.0 | 4.321726393 | 10.1038/ncomms9289 | | | | | |
357 | | NA | | Unk_768.5573p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.245691688 | 10.1038/ncomms9289 | | | | | |
358 | | NA | | Unk_387.171p_0n_4.3_RB_BiocrustExp | | | 0.0 | 4.25564611 | 10.1038/ncomms9289 | | | | | |
359 | | NA | | Unk_415.2047p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.202631802 | 10.1038/ncomms9289 | | | | | |
360 | | NA | | Unk_338.3451p_0n_4.1_RB_BiocrustExp | | | 0.0 | 4.055523817 | 10.1038/ncomms9289 | | | | | |
361 | | NA | | Unk_871.5782p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.163440152 | 10.1038/ncomms9289 | | | | | |
362 | | NA | | Unk_568.2998p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.189935418 | 10.1038/ncomms9289 | | | | | |
363 | | NA | | Unk_536.5839p_0n_4_RB_BiocrustExp | | | 0.0 | 4.038109722 | 10.1038/ncomms9289 | | | | | |
364 | | NA | | Unk_359.3152p_0n_4.1_RB_BiocrustExp | | | 0.0 | 4.117598136 | 10.1038/ncomms9289 | | | | | |
365 | | NA | | Unk_331.2834p_0n_4.1_RB_BiocrustExp | | | 0.0 | 4.129397166 | 10.1038/ncomms9289 | | | | | |
366 | | NA | | Unk_393.2919p_0n_4.1_RB_BiocrustExp | | | 0.0 | 4.056282108 | 10.1038/ncomms9289 | | | | | |
367 | | NA | | Unk_149.0292p_0n_4_RB_BiocrustExp | | | 0.0 | 3.988808085 | 10.1038/ncomms9289 | | | | | |
368 | | NA | | Unk_285.2229p_0n_4.1_RB_BiocrustExp | | | 0.0 | 4.089845054 | 10.1038/ncomms9289 | | | | | |
369 | | NA | | Unk_391.2839p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.905047549 | 10.1038/ncomms9289 | | | | | |
370 | | NA | | Unk_536.5688p_0n_4.1_RB_BiocrustExp | | | 0.0 | 4.059619464 | 10.1038/ncomms9289 | | | | | |
371 | | NA | | Unk_508.5461p_0n_4.1_RB_BiocrustExp | | | 0.0 | 4.058080971 | 10.1038/ncomms9289 | | | | | |
372 | | NA | | Unk_654.3343p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.877013967 | 10.1038/ncomms9289 | | | | | |
373 | | NA | | Unk_653.3015p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.939389551 | 10.1038/ncomms9289 | | | | | |
374 | | NA | | Unk_466.5358p_0n_8.2_RB_BiocrustExp | | | 0.0 | 8.185601506 | 10.1038/ncomms9289 | | | | | |
375 | | NA | | Unk_496.3518p_0n_7.9_RB_BiocrustExp | | | 0.0 | 7.918357692 | 10.1038/ncomms9289 | | | | | |
376 | | NA | | Unk_720.5592p_0n_7.3_RB_BiocrustExp | | | 0.0 | 7.301733806 | 10.1038/ncomms9289 | | | | | |
377 | | NA | | Unk_746.5825p_0n_7.2_RB_BiocrustExp | | | 0.0 | 7.20706051 | 10.1038/ncomms9289 | | | | | |
378 | | NA | | Unk_732.5578p_0n_7.3_RB_BiocrustExp | | | 0.0 | 7.319452981 | 10.1038/ncomms9289 | | | | | |
379 | | NA | | Unk_123.0545p_0n_7.6_RB_BiocrustExp | | | 0.0 | 7.579064824 | 10.1038/ncomms9289 | | | | | |
380 | | NA | | Unk_388.2337p_0n_4.6_RB_BiocrustExp | | | 0.0 | 4.638154354 | 10.1038/ncomms9289 | | | | | |
381 | | NA | | Unk_298.1679p_0n_4.6_RB_BiocrustExp | | | 0.0 | 4.616752913 | 10.1038/ncomms9289 | | | | | |
382 | | NA | | Unk_910.6462p_0n_4.7_RB_BiocrustExp | | | 0.0 | 4.700096099 | 10.1038/ncomms9289 | | | | | |
383 | | NA | | Unk_732.566p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.385965057 | 10.1038/ncomms9289 | | | | | |
384 | | NA | | Unk_228.1772p_0n_4.3_RB_BiocrustExp | | | 0.0 | 4.313263685 | 10.1038/ncomms9289 | | | | | |
385 | | NA | | Unk_352.1933p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.210903469 | 10.1038/ncomms9289 | | | | | |
386 | | NA | | Unk_746.5806p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.385053408 | 10.1038/ncomms9289 | | | | | |
387 | | NA | | Unk_1044.137p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.210005106 | 10.1038/ncomms9289 | | | | | |
388 | | NA | | Unk_282.2799p_0n_4.1_RB_BiocrustExp | | | 0.0 | 4.112959296 | 10.1038/ncomms9289 | | | | | |
389 | | NA | | Unk_680.4921p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.900634116 | 10.1038/ncomms9289 | | | | | |
390 | | NA | | Unk_640.3337p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.178985507 | 10.1038/ncomms9289 | | | | | |
391 | | NA | | Unk_584.5314p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.90496676 | 10.1038/ncomms9289 | | | | | |
392 | | NA | | Unk_570.5125p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.945757151 | 10.1038/ncomms9289 | | | | | |
393 | | NA | | Unk_628.5539p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.884260883 | 10.1038/ncomms9289 | | | | | |
394 | | NA | | Unk_586.5381p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.90833559 | 10.1038/ncomms9289 | | | | | |
395 | | NA | | Unk_598.3841p_0n_8.1_RB_BiocrustExp | | | 0.0 | 8.11096222 | 10.1038/ncomms9289 | | | | | |
396 | | NA | | Unk_998.6592p_0n_8.2_RB_BiocrustExp | | | 0.0 | 8.237284035 | 10.1038/ncomms9289 | | | | | |
397 | | NA | | Unk_306.2247p_0n_8.1_RB_BiocrustExp | | | 0.0 | 8.064054254 | 10.1038/ncomms9289 | | | | | |
398 | | NA | | Unk_826.5135p_0n_8.1_RB_BiocrustExp | | | 0.0 | 8.083934611 | 10.1038/ncomms9289 | | | | | |
399 | | NA | | Unk_994.5942p_0n_8.4_RB_BiocrustExp | | | 0.0 | 8.433088281 | 10.1038/ncomms9289 | | | | | |
400 | | NA | | Unk_800.5295p_0n_8_RB_BiocrustExp | | | 0.0 | 8.037081292 | 10.1038/ncomms9289 | | | | | |
401 | | NA | | Unk_978.5983p_0n_8.6_RB_BiocrustExp | | | 0.0 | 8.552400161 | 10.1038/ncomms9289 | | | | | |
402 | | NA | | Unk_976.587p_0n_8.5_RB_BiocrustExp | | | 0.0 | 8.47443115 | 10.1038/ncomms9289 | | | | | |
403 | | NA | | Unk_962.602p_0n_8.3_RB_BiocrustExp | | | 0.0 | 8.270505867 | 10.1038/ncomms9289 | | | | | |
404 | | NA | | Unk_574.3239p_0n_7.9_RB_BiocrustExp | | | 0.0 | 7.901843381 | 10.1038/ncomms9289 | | | | | |
405 | | NA | | Unk_692.4286p_0n_8_RB_BiocrustExp | | | 0.0 | 7.971565759 | 10.1038/ncomms9289 | | | | | |
406 | | NA | | Unk_536.6112p_0n_8.2_RB_BiocrustExp | | | 0.0 | 8.179263531 | 10.1038/ncomms9289 | | | | | |
407 | | NA | | Unk_798.5406p_0n_7.9_RB_BiocrustExp | | | 0.0 | 7.907276195 | 10.1038/ncomms9289 | | | | | |
408 | | NA | | Unk_784.5591p_0n_7.9_RB_BiocrustExp | | | 0.0 | 7.877157652 | 10.1038/ncomms9289 | | | | | |
409 | | NA | | Unk_296.0829p_0n_7.8_RB_BiocrustExp | | | 0.0 | 7.783001145 | 10.1038/ncomms9289 | | | | | |
410 | | NA | | Unk_266.1233p_0n_7.6_RB_BiocrustExp | | | 0.0 | 7.622360279 | 10.1038/ncomms9289 | | | | | |
411 | | C12H17N5O4 | | Dimethyladenosine | dimethyladenosine | | 0.0 | 7.63216045 | 10.1038/ncomms9289 | 54568893 | ZVVCYWXWKCVZEQ-MCHASIABSA-N | CC(C)(C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)O | 0 | |
412 | | NA | | Unk_500.3954p_0n_6.8_RB_BiocrustExp | | | 0.0 | 6.766136269 | 10.1038/ncomms9289 | | | | | |
413 | | NA | | Unk_403.177p_0n_6.6_RB_BiocrustExp | | | 0.0 | 6.587937552 | 10.1038/ncomms9289 | | | | | |
414 | | NA | | Unk_387.1806p_0n_6.4_RB_BiocrustExp | | | 0.0 | 6.395319277 | 10.1038/ncomms9289 | | | | | |
415 | | NA | | Unk_404.2065p_0n_6.4_RB_BiocrustExp | | | 0.0 | 6.39532554 | 10.1038/ncomms9289 | | | | | |
416 | | NA | | Unk_160.1138p_0n_6.7_RB_BiocrustExp | | | 0.0 | 6.660725855 | 10.1038/ncomms9289 | | | | | |
417 | | C7H12N2O2 | | C7H12N2O2_157.0971p_0n_7_RB_BiocrustExp | | | 0.0 | 7.030779582 | 10.1038/ncomms9289 | | | | | |
418 | | NA | | Unk_300.1979p_0n_6_RB_BiocrustExp | | | 0.0 | 5.951274044 | 10.1038/ncomms9289 | | | | | |
419 | | NA | | Unk_244.1911p_0n_6_RB_BiocrustExp | | | 0.0 | 6.031633397 | 10.1038/ncomms9289 | | | | | |
420 | | NA | | Unk_217.1045p_0n_6.3_RB_BiocrustExp | | | 0.0 | 6.278596144 | 10.1038/ncomms9289 | | | | | |
421 | | NA | | Unk_244.1893p_0n_6_RB_BiocrustExp | | | 0.0 | 6.031633397 | 10.1038/ncomms9289 | | | | | |
422 | | NA | | Unk_138.0909p_0n_7.9_RB_BiocrustExp | | | 0.0 | 7.906214175 | 10.1038/ncomms9289 | | | | | |
423 | | NA | | Unk_316.2128p_0n_6.1_RB_BiocrustExp | | | 0.0 | 6.107008144 | 10.1038/ncomms9289 | | | | | |
424 | | NA | | Unk_260.186p_0n_5.2_RB_BiocrustExp | | | 0.0 | 5.156119011 | 10.1038/ncomms9289 | | | | | |
425 | | NA | | Unk_824.7706p_0n_5.3_RB_BiocrustExp | | | 0.0 | 5.347794915 | 10.1038/ncomms9289 | | | | | |
426 | | NA | | Unk_256.1155p_0n_6_RB_BiocrustExp | | | 0.0 | 5.98925102 | 10.1038/ncomms9289 | | | | | |
427 | | NA | | Unk_198.1135p_0n_7_RB_BiocrustExp | | | 0.0 | 7.003673934 | 10.1038/ncomms9289 | | | | | |
428 | | NA | | Unk_179.0794p_0n_7.8_RB_BiocrustExp | | | 0.0 | 7.830118363 | 10.1038/ncomms9289 | | | | | |
429 | | C7H14N2O2 | | C7H14N2O2_159.1121p_0n_6.5_RB_BiocrustExp | | | 0.0 | 6.46386228 | 10.1038/ncomms9289 | | | | | |
430 | | NA | | Unk_656.5807p_0n_4_RB_BiocrustExp | | | 0.0 | 3.985909868 | 10.1038/ncomms9289 | | | | | |
431 | | NA | | Unk_295.2229p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.380565553 | 10.1038/ncomms9289 | | | | | |
432 | | NA | | Unk_293.2106p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.356184797 | 10.1038/ncomms9289 | | | | | |
433 | | NA | | Unk_281.1949p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.171398596 | 10.1038/ncomms9289 | | | | | |
434 | | NA | | Unk_361.2922p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.153978967 | 10.1038/ncomms9289 | | | | | |
435 | | NA | | Unk_836.6093p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.502455847 | 10.1038/ncomms9289 | | | | | |
436 | | NA | | Unk_195.0719p_0n_7.6_RB_BiocrustExp | | | 0.0 | 7.553840069 | 10.1038/ncomms9289 | | | | | |
437 | | NA | | Unk_514.2451p_0n_4.6_RB_BiocrustExp | | | 0.0 | 4.580140885 | 10.1038/ncomms9289 | | | | | |
438 | | NA | | Unk_692.4242p_0n_4.6_RB_BiocrustExp | | | 0.0 | 4.614650477 | 10.1038/ncomms9289 | | | | | |
439 | | NA | | Unk_664.4641p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.511918414 | 10.1038/ncomms9289 | | | | | |
440 | | NA | | Unk_197.1192p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.367661916 | 10.1038/ncomms9289 | | | | | |
441 | | NA | | Unk_188.1754p_0n_4.7_RB_BiocrustExp | | | 0.0 | 4.659071708 | 10.1038/ncomms9289 | | | | | |
442 | | NA | | Unk_199.1315p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.420517068 | 10.1038/ncomms9289 | | | | | |
443 | | NA | | Unk_207.1583p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.464666873 | 10.1038/ncomms9289 | | | | | |
444 | | NA | | Unk_339.2504p_0n_4.7_RB_BiocrustExp | | | 0.0 | 4.715555897 | 10.1038/ncomms9289 | | | | | |
445 | | NA | | Unk_804.5792p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.487116194 | 10.1038/ncomms9289 | | | | | |
446 | | NA | | Unk_114.0454p_0n_4.7_RB_BiocrustExp | | | 0.0 | 4.719225951 | 10.1038/ncomms9289 | | | | | |
447 | | NA | | Unk_419.1691p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.423382984 | 10.1038/ncomms9289 | | | | | |
448 | | NA | | Unk_802.5722p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.467599202 | 10.1038/ncomms9289 | | | | | |
449 | | NA | | Unk_896.6298p_0n_4.7_RB_BiocrustExp | | | 0.0 | 4.684417934 | 10.1038/ncomms9289 | | | | | |
450 | | NA | | Unk_800.5545p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.493712566 | 10.1038/ncomms9289 | | | | | |
451 | | NA | | Unk_816.55p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.458909042 | 10.1038/ncomms9289 | | | | | |
452 | | NA | | Unk_804.5803p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.487116194 | 10.1038/ncomms9289 | | | | | |
453 | | NA | | Unk_362.2814p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.370199983 | 10.1038/ncomms9289 | | | | | |
454 | | NA | | Unk_784.553p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.389154984 | 10.1038/ncomms9289 | | | | | |
455 | | NA | | Unk_187.1102p_0n_4.3_RB_BiocrustExp | | | 0.0 | 4.314958573 | 10.1038/ncomms9289 | | | | | |
456 | | NA | | Unk_720.5623p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.450580545 | 10.1038/ncomms9289 | | | | | |
457 | | NA | | Unk_309.2374p_0n_4_RB_BiocrustExp | | | 0.0 | 4.04964103 | 10.1038/ncomms9289 | | | | | |
458 | | NA | | Unk_724.5112p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.239620199 | 10.1038/ncomms9289 | | | | | |
459 | | NA | | Unk_796.539p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.382675806 | 10.1038/ncomms9289 | | | | | |
460 | | NA | | Unk_764.5402p_0n_4.3_RB_BiocrustExp | | | 0.0 | 4.296694763 | 10.1038/ncomms9289 | | | | | |
461 | | NA | | Unk_357.147p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.191662628 | 10.1038/ncomms9289 | | | | | |
462 | | NA | | Unk_325.2379p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.242220533 | 10.1038/ncomms9289 | | | | | |
463 | | NA | | Unk_728.4241p_0n_4.5_RB_BiocrustExp | | | 0.0 | 4.473433539 | 10.1038/ncomms9289 | | | | | |
464 | | C21H42O4 | | C21H42O4_376.34p_0n_4.2_RB_BiocrustExp | | | 0.0 | 4.204971561 | 10.1038/ncomms9289 | | | | | |
465 | | NA | | Unk_344.2797p_0n_4_RB_BiocrustExp | | | 0.0 | 4.029126628 | 10.1038/ncomms9289 | | | | | |
466 | | NA | | Unk_374.2877p_0n_4.1_RB_BiocrustExp | | | 0.0 | 4.142401131 | 10.1038/ncomms9289 | | | | | |
467 | | NA | | Unk_537.5349p_0n_4.3_RB_BiocrustExp | | | 0.0 | 4.309153925 | 10.1038/ncomms9289 | | | | | |
468 | | NA | | Unk_283.228p_0n_4_RB_BiocrustExp | | | 0.0 | 4.012587649 | 10.1038/ncomms9289 | | | | | |
469 | | NA | | Unk_186.0767p_0n_4.3_RB_BiocrustExp | | | 0.0 | 4.31031016 | 10.1038/ncomms9289 | | | | | |
470 | | NA | | Unk_834.5371p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.884898573 | 10.1038/ncomms9289 | | | | | |
471 | | C3H7NO2 | | alanine | L-alanine | | 89.0471 | 19.6 | 10.1039/c1mb05196b | 5950 | QNAYBMKLOCPYGJ-REOHCLBHSA-N | CC(C(=O)O)N | 16977 | CHEMONTID:0000013 |
472 | | C10H14N5O7P | | AMP | 5'-adenylic acid | | 347.0639 | 20.71 | 10.1039/c1mb05196b | 6083 | UDMBCSSLTHHNCD-KQYNXXCUSA-N | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N | 16027 | CHEMONTID:0001544 |
473 | | C5H11NO2 | | betaine | betaine | | 117.0797 | 17.35 | 10.1039/c1mb05196b | 247 | KWIUHFFTVRNATP-UHFFFAOYSA-N | C[N+](C)(C)CC(=O)[O-] | 17750 | CHEMONTID:0000013 |
474 | | C9H13N3O5 | | cytidine | cytidine | | 243.0855205 | 14.74 | 10.1039/c1mb05196b | 6175 | UHDGCWIWMRVCDJ-XVFCMESISA-N | C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O | 17562 | CHEMONTID:0000480 |
475 | | C14H18N2O5 | | gamma-Glu-Phe | H-gamma-glu-phe-oh | | 294.1228 | 18.74 | 10.1039/c1mb05196b | 111299 | XHHOHZPNYFQJKL-QWRGUYRKSA-N | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC(C(=O)O)N | 89582 | CHEMONTID:0000013 |
476 | | C6H12O6 | | glucose | D-glucose | | 180.0633 | 19.99 | 10.1039/c1mb05196b | 5793 | WQZGKKKJIJFFOK-GASJEMHNSA-N | C(C1C(C(C(C(O1)O)O)O)O)O | 4167 | CHEMONTID:0000011 |
477 | | C9H16O9 | | glucosylglycerate | | | 268.0806 | 19.44 | 10.1039/c1mb05196b | | | | | |
478 | | C9H18O8 | | glucosylglycerol | 1-O-(D-glucosyl)glycerol | | 254.101 | 16.71 | 10.1039/c1mb05196b | 11658901 | NHJUPBDCSOGIKX-QMWFWAMKSA-N | C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)O | 91033 | CHEMONTID:0000637 |
479 | | C11H14N2O3 | | Gly-Phe | Glycyl-L-phenylalanine | | 222.1008 | 17.08 | 10.1039/c1mb05196b | 92953 | JBCLFWXMTIKCCB-VIFPVBQESA-N | C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN | 73912 | CHEMONTID:0000013 |
480 | | C10H13N5O5 | | guanosine | guanosine | | 283.0914 | 15.76 | 10.1039/c1mb05196b | 135398635 | NYHBQMYGNKIUIF-UUOKFMHZSA-N | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N | 16750 | CHEMONTID:0000479 |
481 | | C11H18N4O3 | | His-Val | H-His-Val-OH | | 254.1369 | 19.36 | 10.1039/c1mb05196b | 7021871 | VLDVBZICYBVQHB-IUCAKERBSA-N | CC(C)C(C(=O)O)NC(=O)C(CC1=CN=CN1)N | 74060 | CHEMONTID:0000013 |
482 | | NA | | Unk_866.5347p_0n_4.4_RB_BiocrustExp | | | 0.0 | 4.384986885 | 10.1038/ncomms9289 | | | | | |
483 | | C11H15N5O4 | | methyladenosine | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol | | 281.1121 | 7.38 | 10.1039/c1mb05196b | 9878825 | MXYRZDAGKTVQIL-IOSLPCCCSA-N | CC1(C(C(C(O1)CO)O)O)N2C=NC3=C(N=CN=C32)N | 0 | CHEMONTID:0000479 |
484 | | C11H15N5O3S | | methylthioadenosine | Methylthioadenosine | | 297.0898 | 6.78 | 10.1039/c1mb05196b | 439176 | WUUGFSXJNOTRMR-IOSLPCCCSA-N | CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | 17509 | CHEMONTID:0004503 |
485 | | C10H14N2O6 | | methyluridine | methyluridine | | 258.0848 | 8.02 | 10.1039/c1mb05196b | 9878327 | ODDDVFDZBGTKDX-VPCXQMTMSA-N | CC1(C(C(C(O1)CO)O)O)N2C=CC(=O)NC2=O | 0 | |
486 | | C6H6N2O | | nicotinamide | nicotinamide | | 122.048 | 6.26 | 10.1039/c1mb05196b | 936 | DFPAKSUCGFBDDF-UHFFFAOYSA-N | C1=CC(=CN=C1)C(=O)N | 17154 | |
487 | | C8H11N | | phenylethylamine | Phenethylamine | | 121.0891494 | 12.07 | 10.1039/c1mb05196b | 1001 | BHHGXPLMPWCGHP-UHFFFAOYSA-N | C1=CC=C(C=C1)CCN | 18397 | CHEMONTID:0000186 |
488 | | C8H11NO3 | | pyridoxine | pyridoxine | | 169.0739 | 7.04 | 10.1039/c1mb05196b | 1054 | LXNHXLLTXMVWPM-UHFFFAOYSA-N | CC1=NC=C(C(=C1O)CO)CO | 16709 | |
489 | | C12H16N4OS | | thiamine | thiamine | | 264.1036 | 14.96 | 10.1039/c1mb05196b | 1130 | JZRWCGZRTZMZEH-UHFFFAOYSA-N | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO | 18385 | CHEMONTID:0000075 |
490 | | C7H14N2O4 | | Thr-Ala | H-THR-ALA-OH | | 190.0955 | 19.56 | 10.1039/c1mb05196b | 7010578 | VPZKQTYZIVOJDV-LMVFSUKVSA-N | CC(C(C(=O)NC(C)C(=O)O)N)O | 74824 | |
491 | | C4H9NO3 | | threonine | L-threonine | | 119.0574 | 19.78 | 10.1039/c1mb05196b | 6288 | AYFVYJQAPQTCCC-GBXIJSLDSA-N | CC(C(C(=O)O)N)O | 16857 | |
492 | | C7H14N2O5 | | Thr-Ser | H-THR-SER-OH | | 206.0881 | 19.38 | 10.1039/c1mb05196b | 7016065 | GXDLGHLJTHMDII-WISUUJSJSA-N | CC(C(C(=O)NC(CO)C(=O)O)N)O | 73664 | |
493 | | C9H12N2O6 | | uridine | uridine | | 244.0689 | 9.95 | 10.1039/c1mb05196b | 6029 | DRTQHJPVMGBUCF-XVFCMESISA-N | C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O | 16704 | CHEMONTID:0000480 |
494 | | C10H18N2O5 | | Val-Glu | H-Val-Glu-OH | | 246.1204 | 20.06 | 10.1039/c1mb05196b | 7009623 | UPJONISHZRADBH-XPUUQOCRSA-N | CC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)N | 75011 | |
495 | | NA | | Unk_812.558p_0n_4_RB_BiocrustExp | | | 0.0 | 3.98977736 | 10.1038/ncomms9289 | | | | | |
496 | | NA | | Unk_850.5403p_0n_4_RB_BiocrustExp | | | 0.0 | 4.034971738 | 10.1038/ncomms9289 | | | | | |
497 | | NA | | Unk_810.5453p_0n_4_RB_BiocrustExp | | | 0.0 | 3.991227698 | 10.1038/ncomms9289 | | | | | |
498 | | NA | | Unk_684.2053p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.902212691 | 10.1038/ncomms9289 | | | | | |
499 | | NA | | Unk_610.1869p_0n_3.9_RB_BiocrustExp | | | 0.0 | 3.8975668 | 10.1038/ncomms9289 | | | | | |
500 | | NA | | Unk_201.0189p_0n_8.5_RB_BiocrustExp | | | 0.0 | 8.501449413 | 10.1038/ncomms9289 | | | | | |
501 | | C11H17N3O5 | | Dimethylcytidine | | | 0.0 | 9.215550642 | 10.1038/ncomms9289 | | | | | |
502 | | C10H7NO3 | | Kynurenic acid | kynurenic acid | | 0.0 | 8.967849531 | 10.1038/ncomms9289 | 3845 | HCZHHEIFKROPDY-UHFFFAOYSA-N | C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O | 18344 | CHEMONTID:0002552 |
503 | | NA | | Unk_360.171p_0n_29.1_RB_BiocrustExp | | | 0.0 | 29.09410576 | 10.1038/ncomms9289 | | | | | |
504 | | NA | | Unk_304.2999p_0n_10.3_RB_BiocrustExp | | | 0.0 | 10.2887573 | 10.1038/ncomms9289 | | | | | |
505 | | NA | | Unk_332.331p_0n_10.1_RB_BiocrustExp | | | 0.0 | 10.13805433 | 10.1038/ncomms9289 | | | | | |
506 | | C4H11NO3 | | C4H11NO3_122.0807p_0n_29.7_RB_BiocrustExp | | | 0.0 | 29.65598318 | 10.1038/ncomms9289 | | | | | |
507 | | C6H13N3O2 | | C6H13N3O2_160.1076p_0n_10_RB_BiocrustExp | | | 0.0 | 10.0032698 | 10.1038/ncomms9289 | | | | | |
508 | | NA | | Unk_289.1337p_0n_27.7_RB_BiocrustExp | | | 0.0 | 27.65944483 | 10.1038/ncomms9289 | | | | | |
509 | | NA | | Unk_303.1407p_0n_26.6_RB_BiocrustExp | | | 0.0 | 26.64739232 | 10.1038/ncomms9289 | | | | | |
510 | | C10H19N5O5 | | Asp-Arg | Asp-Arg | | 0.0 | 24.62143636 | 10.1038/ncomms9289 | 16122509 | PSZNHSNIGMJYOZ-WDSKDSINSA-N | C(CC(C(=O)O)NC(=O)C(CC(=O)O)N)CN=C(N)N | 73445 | CHEMONTID:0000013 |
511 | | C15H26N6O7 | | Gln-Gln-Gln | Gln-Gln-Gln | | 0.0 | 21.98245464 | 10.1038/ncomms9289 | 145455035 | PKVWNYGXMNWJSI-CIUDSAMLSA-N | C(CC(=O)N)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)N | 162070 | |
512 | | NA | | (Glu-Met) | | | 0.0 | 19.11717752 | 10.1038/ncomms9289 | | | | | |
513 | | C10H12N4O5 | | inosine | inosine | | 268.0807695 | 7.49 | WoM manuscript | 135398641 | UGQMRVRMYYASKQ-KQYNXXCUSA-N | C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O | 17596 | |
514 | | C11H13NO3 | | N-acetyl-phenylalanine | N-Acetyl-L-phenylalanine | | 207.0895433 | 4.55 | WoM manuscript | 74839 | CBQJSKKFNMDLON-JTQLQIEISA-N | CC(=O)NC(CC1=CC=CC=C1)C(=O)O | 16259 | |
515 | | C10H14N2O5 | | thymidine | thymidine | | 242.0902716 | 3.1 | WoM manuscript | 5789 | IQFYYKKMVGJFEH-XLPZGREQSA-N | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O | 17748 | CHEMONTID:0002180 |
516 | | C5H6N2O2 | | thymine | thymine | | 126.0429274 | 3.07 | WoM manuscript | 1135 | RWQNBRDOKXIBIV-UHFFFAOYSA-N | CC1=CNC(=O)NC1=O | 17821 | |
517 | | C4H9NO2 | | 4-aminobutanoate | 4-aminobutanoate | | 103.0633285 | 12.5 | WoM manuscript | 5460232 | BTCSSZJGUNDROE-UHFFFAOYSA-M | C(CC(=O)[O-])CN | 30566 | CHEMONTID:0000013 |
518 | | C4H7N3O | | creatinine | creatinine | | 113.0589119 | 5.29 | WoM manuscript | 588 | DDRJAANPRJIHGJ-UHFFFAOYSA-N | CN1CC(=O)N=C1N | 16737 | |
519 | | C5H11NO2 | | 5-aminopentanoate | 5-Aminovaleric acid | | 117.0789786 | 12.72 | WoM manuscript | 138 | JJMDCOVWQOJGCB-UHFFFAOYSA-N | C(CCN)CC(=O)O | 15887 | CHEMONTID:0000013 |
520 | | C4H9NO3 | | threonine isomers (coeluters: threonine, homoserine, allothreonine) | | | 119.0582432 | 11.96 | WoM manuscript | | | | | |
521 | | C6H5NO2 | | nicotinate | nicotinate | | 123.0320284 | 6.97 | WoM manuscript | 937 | PVNIIMVLHYAWGP-UHFFFAOYSA-M | C1=CC(=CN=C1)C(=O)[O-] | 32544 | |
522 | | C2H7NO3S | | taurine | taurine | | 125.0146641 | 12.18 | WoM manuscript | 1123 | XOAAWQZATWQOTB-UHFFFAOYSA-N | C(CS(=O)(=O)O)N | 15891 | |
523 | | C5H6N2O2 | | 4-imidazoleacetic acid | 645-65-8 | | 126.0429274 | 11.13 | WoM manuscript | 96215 | PRJKNHOMHKJCEJ-UHFFFAOYSA-N | C1=C(NC=N1)CC(=O)O | 16974 | |
524 | | C5H7NO3 | | 5-oxo-proline | | | 129.0425931 | 9.92 | WoM manuscript | | | | | |
525 | | C6H14N2O | | N-acetylputrescine | N-(4-aminobutyl)acetamide | | 130.1106131 | 9.9 | WoM manuscript | 122356 | KLZGKIDSEJWEDW-UHFFFAOYSA-N | CC(=O)NCCCCN | 17768 | CHEMONTID:0002484 |
526 | | C5H9NO3 | | trans-4-hydroxyproline | L-Hydroxyproline | | 131.0582432 | 11.49 | WoM manuscript | 5810 | PMMYEEVYMWASQN-DMTCNVIQSA-N | C1C(CNC1C(=O)O)O | 18095 | |
527 | | C5H9NO3 | | cis-4-hydroxyproline | cis-4-Hydroxy-L-proline | | 131.0582432 | 12.0 | WoM manuscript | 440015 | PMMYEEVYMWASQN-IMJSIDKUSA-N | C1C(CNC1C(=O)O)O | 28397 | |
528 | | C6H13NO2 | | leucine/norleucine | | | 131.0946287 | 7.96 | WoM manuscript | | | | | |
529 | | C5H12N2O2 | | ornithine | L-ornithine | | 132.0898776 | 23.14 | WoM manuscript | 6262 | AHLPHDHHMVZTML-BYPYZUCNSA-N | C(CC(C(=O)O)N)CN | 15729 | CHEMONTID:0000013 |
530 | | C7H7NO2 | | trigonelline | Trigonelline | | 137.0476785 | 7.95 | WoM manuscript | 5570 | WWNNZCOKKKDOPX-UHFFFAOYSA-N | C[N+]1=CC=CC(=C1)C(=O)[O-] | 18123 | |
531 | | C8H11NO | | tyramine | tyramine | | 137.084064 | 8.9 | WoM manuscript | 5610 | DZGWFCGJZKJUFP-UHFFFAOYSA-N | C1=CC(=CC=C1CCN)O | 15760 | |
532 | | C6H11NO3 | | 4-acetamidobutanoate | 4-Acetamidobutyric acid | | 145.0738932 | 7.91 | WoM manuscript | 18189 | UZTFMUBKZQVKLK-UHFFFAOYSA-N | CC(=O)NCCCC(=O)O | 17645 | CHEMONTID:0000013 |
533 | | C5H11N3O2 | | 4-guanidinobutanoate | 4-Guanidinobutyric acid | | 145.0851266 | 12.06 | WoM manuscript | 500 | TUHVEAJXIMEOSA-UHFFFAOYSA-N | C(CC(=O)O)CN=C(N)N | 15728 | |
534 | | C7H15NO2 | | deoxycarnitine | Actinine | | 145.1102787 | 10.37 | WoM manuscript | 725 | JHPNVNIEXXLNTR-UHFFFAOYSA-N | C[N+](C)(C)CCCC(=O)[O-] | 16244 | |
535 | | C5H9NO4 | | glutamic acid | L-glutamic acid | | 147.0531578 | 14.13 | WoM manuscript | 33032 | WHUUTDBJXJRKMK-VKHMYHEASA-N | C(CC(=O)O)C(C(=O)O)N | 16015 | CHEMONTID:0000013 |
536 | | C6H11NO4 | | alpha-aminoadipate | 2-Aminohexanedioic acid | | 161.0688078 | 14.52 | WoM manuscript | 469 | OYIFNHCXNCRBQI-UHFFFAOYSA-N | C(CC(C(=O)O)N)CC(=O)O | 37024 | |
537 | | C7H15NO3 | | carnitine | DL-Carnitine | | 161.1051933 | 10.18 | WoM manuscript | 288 | PHIQHXFUZVPYII-UHFFFAOYSA-N | C[N+](C)(C)CC(CC(=O)[O-])O | 17126 | CHEMONTID:0000503 |
538 | | C6H14N2O3 | | 5-hydroxylysine | 5-hydroxylysine | | 162.1004423 | 23.91 | WoM manuscript | 3032849 | YSMODUONRAFBET-UHNVWZDZSA-N | C(CC(C(=O)O)N)C(CN)O | 18040 | |
539 | | C6H10N2O4 | | N-alpha-acetyl-asparagine | | | 174.0640568 | 11.05 | WoM manuscript | | | | | |
540 | | C6H9NO5 | | N-acetyl-aspartic acid | | | 175.0480724 | 14.7 | WoM manuscript | | | | | |
541 | | C10H13N5O3 | | 5'-deoxyadenosine | 5'-deoxyadenosine | | 251.1018393 | 3.43 | WoM manuscript | 439182 | XGYIMTFOTBMPFP-KQYNXXCUSA-N | CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | 17319 | |
542 | | C10H13N5O3 | | 2'-deoxyadenosine | 2'-deoxyadenosine | | 251.1018393 | 4.09 | WoM manuscript | 13730 | OLXZPDWKRNYJJZ-RRKCRQDMSA-N | C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O | 17256 | CHEMONTID:0002177 |
543 | | C8H16N2O3 | | N-alpha-acetyl-lysine | | | 188.1160924 | 12.6 | WoM manuscript | | | | | |
544 | | C9H20N2O2 | | trimethyllysine | Trimethyllysine | | 188.1524779 | 19.14 | WoM manuscript | 440121 | MXNRLFUSFKVQSK-QMMMGPOBSA-O | C[N+](C)(C)CCCCC(C(=O)O)N | 17311 | |
545 | | C9H17NO5 | | pantothenic acid | pantothenic acid | | 219.1106726 | 8.18 | WoM manuscript | 6613 | GHOKWGTUZJEAQD-ZETCQYMHSA-N | CC(C)(CO)C(C(=O)NCCC(=O)O)O | 46905 | |
546 | | C9H14N4O3 | | carnosine | L-Carnosine | | 226.1065903 | 14.5 | WoM manuscript | 439224 | CQOVPNPJLQNMDC-ZETCQYMHSA-N | C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN | 15727 | CHEMONTID:0002010 |
547 | | C12H10N4O2 | | lumichrome | lumichrome | | 242.0803756 | 2.99 | WoM manuscript | 5326566 | ZJTJUVIJVLLGSP-UHFFFAOYSA-N | CC1=CC2=C(C=C1C)N=C3C(=N2)C(=O)NC(=O)N3 | 17781 | |
548 | | C10H16N2O3S | | biotin | biotin | | 244.0881634 | 7.92 | WoM manuscript | 171548 | YBJHBAHKTGYVGT-ZKWXMUAHSA-N | C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 | 15956 | |
549 | | C13H14N2O3 | | N-acetyl-tryptophan | N-Acetyl-L-tryptophan | | 246.1004423 | 6.69 | WoM manuscript | 700653 | DZTHIGRZJZPRDV-LBPRGKRZSA-N | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O | 74640 | CHEMONTID:0000013 |
550 | | C8H20NO6P | | sn-glycero-3-phosphocholine | Choline Alfoscerate | | 257.102824 | 12.08 | WoM manuscript | 657272 | SUHOQUVVVLNYQR-MRVPVSSYSA-N | C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O | 16870 | |
551 | | C10H12N4O6 | | xanthosine | xanthosine | | 284.0756841 | 11.64 | WoM manuscript | 64959 | UBORTCNDUKBEOP-UUOKFMHZSA-N | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O | 18107 | |
552 | | C11H15N5O3S | | 5'-methylthioadenosine | Methylthioadenosine | | 297.0895604 | 3.15 | WoM manuscript | 439176 | WUUGFSXJNOTRMR-IOSLPCCCSA-N | CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | 17509 | |
553 | | C9H12N3O7P | | cytidine 2',3'-cyclic monophosphate | Cytidine 2',3'-cyclic monophosphoric acid | | 305.0412864 | 12.18 | WoM manuscript | 91746159 | NMPZCCZXCOMSDQ-PDVZPSIWSA-N | C1=CN(C(=O)N=C1N)C2C3C(C(O2)CO)OP(=O)(O3)O | 229246 | CHEMONTID:0001492 |
554 | | C10H12N5O6P | | 3',5'-cyclic AMP | Cyclic AMP | | 329.0525198 | 9.2 | WoM manuscript | 6076 | IVOMOUWHDPKRLL-KQYNXXCUSA-N | C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O | 17489 | |
555 | | C10H12N5O7P | | guanosine 3',5'-cyclic monophosphate | cGMP | | 345.0474344 | 12.51 | WoM manuscript | 135398570 | ZOOGRGPOEVQQDX-UUOKFMHZSA-N | C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O | 16356 | CHEMONTID:0001491 |
556 | | C17H20N4O6 | | riboflavin | riboflavin | | 376.1382844 | 5.57 | WoM manuscript | 493570 | AUNGANRZJHBGPY-SCRDCRAPSA-N | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O | 17015 | |
557 | | C4H8O2 | | butanoate | butyrate | | 88.0524295 | 14.55 | WoM manuscript | 104775 | FERIUCNNQQJTOY-UHFFFAOYSA-M | CCCC(=O)[O-] | 17968 | |
558 | | C3H7NO2 | | sarcosine | sarcosine | | 89.04767847 | 10.98 | WoM manuscript | 1088 | FSYKKLYZXJSNPZ-UHFFFAOYSA-N | CNCC(=O)O | 15611 | |
559 | | C3H6O3 | | lactate | lactate | | 90.03169405 | 8.3 | WoM manuscript | 91435 | JVTAAEKCZFNVCJ-UHFFFAOYSA-M | CC(C(=O)[O-])O | 24996 | CHEMONTID:0000129 |
560 | | C4H8O3 | | hydroxybutyric acids (coeluting isomers: 2-hydroxybutyric acid, alpha-hydroxyisobutyric acid) | | | 104.0473441 | 6.72 | WoM manuscript | | | | | |
561 | | C3H6O4 | | glycerate | D-Glyceric acid | | 106.0266087 | 10.99 | WoM manuscript | 439194 | RBNPOMFGQQGHHO-UWTATZPHSA-N | C(C(C(=O)O)O)O | 32398 | |
562 | | C4H4O4 | | maleic acid | maleic acid | | 116.0109586 | 3.74 | WoM manuscript | 444266 | VZCYOOQTPOCHFL-UPHRSURJSA-N | C(=CC(=O)O)C(=O)O | 18300 | CHEMONTID:0000346 |
563 | | C5H8O3 | | methyl acetoacetate | METHYL ACETOACETATE | | 116.0473441 | 14.32 | WoM manuscript | 7757 | WRQNANDWMGAFTP-UHFFFAOYSA-N | CC(=O)CC(=O)OC | 166454 | |
564 | | C5H6O4 | | 2-methylmaleate | Citraconic acid | | 130.0266087 | 3.32 | WoM manuscript | 643798 | HNEGQIOMVPPMNR-IHWYPQMZSA-N | CC(=CC(=O)O)C(=O)O | 17626 | |
565 | | C5H9NO3 | | N-acetyl-alanine | N-Acetyl-DL-alanine | | 131.0582432 | 8.08 | WoM manuscript | 7345 | KTHDTJVBEPMMGL-UHFFFAOYSA-N | CC(C(=O)O)NC(=O)C | 170067 | |
566 | | C7H7NO2 | | anthranilate | anthranilic acid | | 137.0476785 | 4.94 | WoM manuscript | 227 | RWZYAGGXGHYGMB-UHFFFAOYSA-N | C1=CC=C(C(=C1)C(=O)O)N | 30754 | CHEMONTID:0000176 |
567 | | C7H6O3 | | salicylate | salicylate | | 138.0316941 | 2.93 | WoM manuscript | 54675850 | YGSDEFSMJLZEOE-UHFFFAOYSA-M | C1=CC=C(C(=C1)C(=O)O)[O-] | 30762 | |
568 | | C7H6O3 | | 3-hydroxybenzoate | 3-Hydroxybenzoate | | 138.0316941 | 8.2 | WoM manuscript | 54675842 | IJFXRHURBJZNAO-UHFFFAOYSA-M | C1=CC(=CC(=C1)[O-])C(=O)O | 16193 | |
569 | | C6H5NO3 | | 6-hydroxynicotinate | 6-Hydroxynicotinic acid | | 139.026943 | 10.54 | WoM manuscript | 72924 | BLHCMGRVFXRYRN-UHFFFAOYSA-N | C1=CC(=O)NC=C1C(=O)O | 16168 | CHEMONTID:0001322 |
570 | | C5H6O5 | | alpha-ketoglutaric acid | 2-ketoglutaric acid | | 146.0215233 | 15.62 | WoM manuscript | 51 | KPGXRSRHYNQIFN-UHFFFAOYSA-N | C(CC(=O)O)C(=O)C(=O)O | 30915 | |
571 | | C5H9NO4 | | N-acetyl-serine | N-Acetyl-L-serine | | 147.0531578 | 10.27 | WoM manuscript | 65249 | JJIHLJJYMXLCOY-BYPYZUCNSA-N | CC(=O)NC(CO)C(=O)O | 45441 | |
572 | | C5H10O3S | | 2-hydroxy-4-(methylthio)butyric acid | 2-Hydroxy-4-(methylthio)butyric acid | | 150.0350652 | 4.91 | WoM manuscript | 11427 | ONFOSYPQQXJWGS-UHFFFAOYSA-N | CSCCC(C(=O)O)O | 137228 | CHEMONTID:0000262 |
573 | | C8H8O3 | | 4-hydroxyphenylacetate | 4-hydroxyphenylacetic acid | | 152.0473441 | 8.17 | WoM manuscript | 127 | XQXPVVBIMDBYFF-UHFFFAOYSA-N | C1=CC(=CC=C1CC(=O)O)O | 18101 | |
574 | | C5H12O5 | | coeluting isomers (arabitol, ribitol, xilitol) | | | 152.0684735 | 8.55 | WoM manuscript | | | | | |
575 | | C7H6O4 | | 2,3-dihydroxybenzoate | 2,3-dihydroxybenzoate | | 154.0266087 | 6.46 | WoM manuscript | 54675818 | GLDQAMYCGOIJDV-UHFFFAOYSA-M | C1=CC(=C(C(=C1)O)[O-])C(=O)O | 36654 | |
576 | | C5H4N2O4 | | orotate | orotate | | 156.0171066 | 9.47 | WoM manuscript | 1492348 | PXQPEWDEAKTCGB-UHFFFAOYSA-M | C1=C(NC(=O)NC1=O)C(=O)[O-] | 30839 | CHEMONTID:0000075 |
577 | | C6H10O5 | | 3-hydroxy-3-methylglutarate | MEGLUTOL | | 162.0528234 | 13.52 | WoM manuscript | 1662 | NPOAOTPXWNWTSH-UHFFFAOYSA-N | CC(CC(=O)O)(CC(=O)O)O | 16831 | |
578 | | C5H4N4O3 | | urate | uric acid | | 168.02834 | 12.07 | WoM manuscript | 1175 | LEHOTFFKMJEONL-UHFFFAOYSA-N | C12=C(NC(=O)N1)NC(=O)NC2=O | 17775 | CHEMONTID:0000245 |
579 | | C8H8O4 | | homogentisate | Homogentisic acid | | 168.0422587 | 8.06 | WoM manuscript | 780 | IGMNYECMUMZDDF-UHFFFAOYSA-N | C1=CC(=C(C=C1O)CC(=O)O)O | 44747 | |
580 | | C8H15NO3 | | N-acetyl-leucine | N-Acetyl-L-leucine | | 173.1051933 | 4.79 | WoM manuscript | 70912 | WXNXCEHXYPACJF-ZETCQYMHSA-N | CC(C)CC(C(=O)O)NC(=O)C | 17786 | |
581 | | C6H6O6 | | trans-aconitate | trans-Aconitic acid | | 174.0164379 | 16.39 | WoM manuscript | 444212 | GTZCVFVGUGFEME-HNQUOIGGSA-N | C(C(=CC(=O)O)C(=O)O)C(=O)O | 32806 | CHEMONTID:0001986 |
582 | | C6H11NO3S | | formyl-methionyl peptide | | | 177.0459642 | 6.32 | WoM manuscript | | | | | |
583 | | C10H7NO3 | | 4-hydroxy-2-quinolinecarboxylic acid | kynurenic acid | | 189.0425931 | 6.21 | WoM manuscript | 3845 | HCZHHEIFKROPDY-UHFFFAOYSA-N | C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O | 18344 | |
584 | | C7H11NO5 | | N-acetyl-glutamic acid | N-Acetyl-L-glutamic acid | | 189.0637225 | 14.65 | WoM manuscript | 70914 | RFMMMVDNIPUKGG-YFKPBYRVSA-N | CC(=O)NC(CCC(=O)O)C(=O)O | 17533 | |
585 | | C12H22O11 | | trehalose | trehalose | | 342.1162115 | 13.61 | WoM manuscript | 7427 | HDTRYLNUVZCQOY-LIZSDCNHSA-N | C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O | 16551 | CHEMONTID:0000011 |
586 | | C14H28O2 | | myristic acid | Tetradecanoic acid | | 228.2089301 | 1.63 | WoM manuscript | 11005 | TUNFSRHWOTWDNC-UHFFFAOYSA-N | CCCCCCCCCCCCCC(=O)O | 28875 | |
587 | | C6H12O6 | | myo-inositol | inositol | | 180.0633881 | 12.53 | WoM manuscript | 892 | CDAISMWEOUEBRE-UHFFFAOYSA-N | C1(C(C(C(C(C1O)O)O)O)O)O | 17268 | |
588 | | C9H14N3O8P | | cytidine 5?-monophosphate | | | 323.051851 | 15.26 | WoM manuscript | | | | | |
589 | | C9H13N2O9P | | uridine-5'-monophosphate | Uridine 5'-monophosphate | | 324.0358666 | 14.21 | WoM manuscript | 6030 | DJJCXFVJDGTHFX-XVFCMESISA-N | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O | 16695 | CHEMONTID:0002147 |
590 | | C4H9NO2 | | 2-aminoisobutyric acid | 2-Aminoisobutyric acid | | 0.0 | 0.0 | NA | 6119 | FUOOLUPWFVMBKG-UHFFFAOYSA-N | CC(C)(C(=O)O)N | 27971 | |
591 | | C10H13N5O4 | | 2'-deoxyguanosine | 2'-deoxyguanosine | | 0.0 | 0.0 | NA | 135398592 | YKBGVTZYEHREMT-KVQBGUIXSA-N | C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O | 17172 | CHEMONTID:0002177 |
592 | | C7H8O5 | | 3-dehydroshikimate | 2922-42-1 | | 0.0 | 0.0 | NA | 439774 | SLWWJZMPHJJOPH-PHDIDXHHSA-N | C1C(C(C(=O)C=C1C(=O)O)O)O | 30918 | |
593 | | C8H7O3- | | 4-methoxybenzoate | 4-Methoxybenzoate | | 0.0 | 0.0 | NA | 3783514 | ZEYHEAKUIGZSGI-UHFFFAOYSA-M | COC1=CC=C(C=C1)C(=O)[O-] | 16639 | |
594 | | C5H11NO2 | | 5-aminovaleric acid | 5-Aminovaleric acid | | 0.0 | 0.0 | NA | 138 | JJMDCOVWQOJGCB-UHFFFAOYSA-N | C(CCN)CC(=O)O | 15887 | CHEMONTID:0000013 |
595 | | C15H20O4 | | abscisic acid | 14375-45-2 | | 0.0 | 0.0 | NA | 5375199 | JLIDBLDQVAYHNE-LXGGSRJLSA-N | CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C | 22152 | |
596 | | C6H10O4 | | adipic acid | adipic acid | | 0.0 | 0.0 | NA | 196 | WNLRTRBMVRJNCN-UHFFFAOYSA-N | C(CCC(=O)O)CC(=O)O | 30832 | |
597 | | C7H13NO3 | | betonicine | Betonicine | | 0.0 | 0.0 | NA | 164642 | MUNWAHDYFVYIKH-RITPCOANSA-N | C[N+]1(CC(CC1C(=O)[O-])O)C | 85533 | |
598 | | C9H8O4 | | caffeic acid | caffeic acid | | 0.0 | 0.0 | NA | 689043 | QAIPRVGONGVQAS-DUXPYHPUSA-N | C1=CC(=C(C=C1C=CC(=O)O)O)O | 36281 | CHEMONTID:0001391 |
599 | | C5H14NO+ | | choline | choline | | 0.0 | 0.0 | NA | 305 | OEYIOHPDSNJKLS-UHFFFAOYSA-N | C[N+](C)(C)CCO | 15354 | |
600 | | C5H13NO4S | | choline-o-sulfate | choline sulfate | | 0.0 | 0.0 | NA | 485 | WXCQAWGXWVRCGP-UHFFFAOYSA-N | C[N+](C)(C)CCOS(=O)(=O)[O-] | 16822 | |
601 | | C9H8O2 | | cinnamic acid | CINNAMIC ACID | | 0.0 | 0.0 | NA | 444539 | WBYWAXJHAXSJNI-VOTSOKGWSA-N | C1=CC=C(C=C1)C=CC(=O)O | 27386 | CHEMONTID:0002504 |
602 | | C6H6O6 | | cis-aconitic acid | cis-Aconitic acid | | 0.0 | 0.0 | NA | 643757 | GTZCVFVGUGFEME-IWQZZHSRSA-N | C(C(=CC(=O)O)C(=O)O)C(=O)O | 32805 | |
603 | | C6H14O6 | | D-mannitol | D-mannitol | | 0.0 | 0.0 | NA | 6251 | FBPFZTCFMRRESA-KVTDHHQDSA-N | C(C(C(C(C(CO)O)O)O)O)O | 16899 | |
604 | | NA | | deoxy_sugar(rhamnose) | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
605 | | NA | | dihexose(maltose) | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
606 | | NA | | dihexose@13.9 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
607 | | C10H10O4 | | ferulic acid | ferulic acid | | 0.0 | 0.0 | NA | 445858 | KSEBMYQBYZTDHS-HWKANZROSA-N | COC1=C(C=CC(=C1)C=CC(=O)O)O | 193350 | CHEMONTID:0001391 |
608 | | NA | | hexose(fructose) | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
609 | | C4H4O4 | | fumaric acid | fumaric acid | | 0.0 | 0.0 | NA | 444972 | VZCYOOQTPOCHFL-OWOJBTEDSA-N | C(=CC(=O)O)C(=O)O | 18012 | |
610 | | C4H9NO2 | | gamma-amino-n-butyric acid | 4-aminobutyric acid | | 0.0 | 0.0 | NA | 119 | BTCSSZJGUNDROE-UHFFFAOYSA-N | C(CC(=O)O)CN | 16865 | CHEMONTID:0000013 |
611 | | C5H8O4 | | glutaric acid | GLUTARIC ACID | | 0.0 | 0.0 | NA | 743 | JFCQEDHGNNZCLN-UHFFFAOYSA-N | C(CC(=O)O)CC(=O)O | 17859 | |
612 | | C2H4O3 | | glycolic acid | glycolic acid | | 0.0 | 0.0 | NA | 757 | AEMRFAOFKBGASW-UHFFFAOYSA-N | C(C(=O)O)O | 17497 | |
613 | | NA | | hexose(glucose) | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
614 | | NA | | hexose@11 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
615 | | NA | | hexose@11.2 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
616 | | NA | | hexose@11.9 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
617 | | NA | | hexose@12.4 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
618 | | NA | | hexose@12.8 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
619 | | C10H8NO2- | | indole-3-acetate | indole-3-acetate | | 0.0 | 0.0 | NA | 801 | SEOVTRFCIGRIMH-UHFFFAOYSA-M | C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-] | 30854 | CHEMONTID:0001290 |
620 | | C12H18O3 | | jasmonic acid | Jasmonic acid | | 0.0 | 0.0 | NA | 5281166 | ZNJFBWYDHIGLCU-HWKXXFMVSA-N | CCC=CCC1C(CCC1=O)CC(=O)O | 18292 | CHEMONTID:0000504 |
621 | | C3H7NO2 | | alpha-alanine | L-alanine | | 0.0 | 0.0 | NA | 5950 | QNAYBMKLOCPYGJ-REOHCLBHSA-N | CC(C(=O)O)N | 16977 | |
622 | | C6H14N4O2 | | L-arginine | L-arginine | | 0.0 | 0.0 | NA | 6322 | ODKSFYDXXFIFQN-BYPYZUCNSA-N | C(CC(C(=O)O)N)CN=C(N)N | 16467 | CHEMONTID:0000013 |
623 | | C4H8N2O3 | | L-asparagine | L-asparagine | | 0.0 | 0.0 | NA | 6267 | DCXYFEDJOCDNAF-REOHCLBHSA-N | C(C(C(=O)O)N)C(=O)N | 17196 | |
624 | | C4H7NO4 | | L-aspartate | L-aspartic acid | | 0.0 | 0.0 | NA | 5960 | CKLJMWTZIZZHCS-REOHCLBHSA-N | C(C(C(=O)O)N)C(=O)O | 17053 | CHEMONTID:0000013 |
625 | | C7H15NO3 | | L-carnitine | L-carnitine | | 0.0 | 0.0 | NA | 10917 | PHIQHXFUZVPYII-ZCFIWIBFSA-N | C[N+](C)(C)CC(CC(=O)[O-])O | 16347 | |
626 | | C6H13N3O3 | | L-citrulline | L-citrulline | | 0.0 | 0.0 | NA | 9750 | RHGKLRLOHDJJDR-BYPYZUCNSA-N | C(CC(C(=O)O)N)CNC(=O)N | 16349 | |
627 | | C5H9NO4 | | L-glutamate | L-glutamic acid | | 0.0 | 0.0 | NA | 33032 | WHUUTDBJXJRKMK-VKHMYHEASA-N | C(CC(=O)O)C(C(=O)O)N | 16015 | CHEMONTID:0000013 |
628 | | C4H9NO3 | | L-homoserine | L-homoserine | | 0.0 | 0.0 | NA | 12647 | UKAUYVFTDYCKQA-VKHMYHEASA-N | C(CO)C(C(=O)O)N | 15699 | |
629 | | C5H9NO3 | | L-hydroxyproline | L-Hydroxyproline | | 0.0 | 0.0 | NA | 5810 | PMMYEEVYMWASQN-DMTCNVIQSA-N | C1C(CNC1C(=O)O)O | 18095 | |
630 | | C6H13NO2 | | L-isoleucine | l-isoleucine | | 0.0 | 0.0 | NA | 6306 | AGPKZVBTJJNPAG-WHFBIAKZSA-N | CCC(C)C(C(=O)O)N | 17191 | CHEMONTID:0000013 |
631 | | C6H13NO2 | | L-leucine | L-leucine | | 0.0 | 0.0 | NA | 6106 | ROHFNLRQFUQHCH-YFKPBYRVSA-N | CC(C)CC(C(=O)O)N | 15603 | |
632 | | C6H14N2O2 | | L-lysine | L-lysine | | 0.0 | 0.0 | NA | 5962 | KDXKERNSBIXSRK-YFKPBYRVSA-N | C(CCN)CC(C(=O)O)N | 18019 | |
633 | | C5H11NO2S | | L-methionine | L-methionine | | 0.0 | 0.0 | NA | 6137 | FFEARJCKVFRZRR-BYPYZUCNSA-N | CSCCC(C(=O)O)N | 16643 | CHEMONTID:0000013 |
634 | | C5H12N2O2 | | L-ornithine | L-ornithine | | 0.0 | 0.0 | NA | 6262 | AHLPHDHHMVZTML-BYPYZUCNSA-N | C(CC(C(=O)O)N)CN | 15729 | |
635 | | C9H11NO2 | | L-phenylalanine | L-phenylalanine | | 0.0 | 0.0 | NA | 6140 | COLNVLDHVKWLRT-QMMMGPOBSA-N | C1=CC=C(C=C1)CC(C(=O)O)N | 17295 | |
636 | | C5H9NO2 | | L-proline | L-proline | | 0.0 | 0.0 | NA | 145742 | ONIBWKKTOPOVIA-BYPYZUCNSA-N | C1CC(NC1)C(=O)O | 17203 | CHEMONTID:0000013 |
637 | | C5H7NO3 | | L-pyroglutamic acid | L-Pyroglutamic acid | | 0.0 | 0.0 | NA | 7405 | ODHCTXKNWHHXJC-VKHMYHEASA-N | C1CC(=O)NC1C(=O)O | 18183 | |
638 | | C7H12O6 | | L-quinic acid | quinic acid | | 0.0 | 0.0 | NA | 6508 | AAWZDTNXLSGCEK-LNVDRNJUSA-N | C1C(C(C(CC1(C(=O)O)O)O)O)O | 17521 | |
639 | | C3H7NO3 | | L-serine | L-serine | | 0.0 | 0.0 | NA | 5951 | MTCFGRXMJLQNBG-REOHCLBHSA-N | C(C(C(=O)O)N)O | 17115 | CHEMONTID:0000013 |
640 | | C4H8O5 | | L-threonic acid | L-threonic acid | | 0.0 | 0.0 | NA | 5460407 | JPIJQSOTBSSVTP-STHAYSLISA-N | C(C(C(C(=O)O)O)O)O | 15908 | |
641 | | C4H9NO3 | | L-threonine | L-threonine | | 0.0 | 0.0 | NA | 6288 | AYFVYJQAPQTCCC-GBXIJSLDSA-N | CC(C(C(=O)O)N)O | 16857 | |
642 | | C11H12N2O2 | | L-tryptophan | L-tryptophan | | 0.0 | 0.0 | NA | 6305 | QIVBCDIJIAJPQS-VIFPVBQESA-N | C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N | 16828 | CHEMONTID:0001290 |
643 | | C9H11NO3 | | L-tyrosine | L-tyrosine | | 0.0 | 0.0 | NA | 6057 | OUYCCCASQSFEME-QMMMGPOBSA-N | C1=CC(=CC=C1CC(C(=O)O)N)O | 17895 | |
644 | | C5H11NO2 | | L-valine | L-valine | | 0.0 | 0.0 | NA | 6287 | KZSNJWFQEVHDMF-BYPYZUCNSA-N | CC(C)C(C(=O)O)N | 16414 | |
645 | | C3H6O3 | | lactic acid | lactic acid | | 0.0 | 0.0 | NA | 612 | JVTAAEKCZFNVCJ-UHFFFAOYSA-N | CC(C(=O)O)O | 78320 | CHEMONTID:0001359 |
646 | | C18H32O2 | | linoleic acid | linoleic acid | | 0.0 | 0.0 | NA | 5280450 | OYHQOLUKZRVURQ-HZJYTTRNSA-N | CCCCCC=CCC=CCCCCCCCC(=O)O | 17351 | |
647 | | C3H4O4 | | malonic acid | malonic acid | | 0.0 | 0.0 | NA | 867 | OFOBLEOULBTSOW-UHFFFAOYSA-N | C(C(=O)O)C(=O)O | 30794 | |
648 | | C8H15NO6 | | N-acetyl-D-glucosamine | N-acetyl-D-glucosamine | | 0.0 | 0.0 | NA | 439174 | OVRNDRQMDRJTHS-RTRLPJTCSA-N | CC(=O)NC1C(C(C(OC1O)CO)O)O | 506227 | CHEMONTID:0000011 |
649 | | C6H5NO2 | | nicotinic acid | nicotinic acid | | 0.0 | 0.0 | NA | 938 | PVNIIMVLHYAWGP-UHFFFAOYSA-N | C1=CC(=CN=C1)C(=O)O | 15940 | |
650 | | C18H34O2 | | oleic acid | oleic acid | | 0.0 | 0.0 | NA | 445639 | ZQPPMHVWECSIRJ-KTKRTIGZSA-N | CCCCCCCCC=CCCCCCCCC(=O)O | 16196 | CHEMONTID:0000262 |
651 | | C16H32O2 | | palmitic acid | palmitic acid | | 0.0 | 0.0 | NA | 985 | IPCSVZSSVZVIGE-UHFFFAOYSA-N | CCCCCCCCCCCCCCCC(=O)O | 15756 | |
652 | | C16H30O2 | | palmitoleic acid | palmitoleic acid | | 0.0 | 0.0 | NA | 445638 | SECPZKHBENQXJG-FPLPWBNLSA-N | CCCCCCC=CCCCCCCCC(=O)O | 28716 | |
653 | | NA | | pentose(arabinose) | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
654 | | NA | | pentose(xylose) | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
655 | | NA | | pentose@10 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
656 | | NA | | pentose@11.2 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
657 | | NA | | pentose@11.6 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
658 | | NA | | pentose@12 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
659 | | C18H32O16 | | raffinose | RAFFINOSE | | 0.0 | 0.0 | NA | 439242 | MUPFEKGTMRGPLJ-ZQSKZDJDSA-N | C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O | 16634 | CHEMONTID:0000011 |
660 | | NA | | pentose(D-ribose) | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
661 | | C7H6O3 | | salicylic acid | salicylic acid | | 0.0 | 0.0 | NA | 338 | YGSDEFSMJLZEOE-UHFFFAOYSA-N | C1=CC=C(C(=C1)C(=O)O)O | 16914 | |
662 | | C7H10O5 | | shikimic acid | shikimic acid | | 0.0 | 0.0 | NA | 8742 | JXOHGGNKMLTUBP-HSUXUTPPSA-N | C1C(C(C(C=C1C(=O)O)O)O)O | 16119 | CHEMONTID:0000129 |
663 | | C7H13NO2 | | stachydrine | stachydrine | | 0.0 | 0.0 | NA | 115244 | CMUNUTVVOOHQPW-LURJTMIESA-N | C[N+]1(CCCC1C(=O)[O-])C | 35280 | |
664 | | NA | | steaic acid | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
665 | | C4H6O4 | | succinic acid | succinic acid | | 0.0 | 0.0 | NA | 1110 | KDYFGRWQOYBRFD-UHFFFAOYSA-N | C(CC(=O)O)C(=O)O | 15741 | CHEMONTID:0000346 |
666 | | NA | | dihexose(sucrose) | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
667 | | NA | | sugar_alcohol_C6H14O6@10.1 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
668 | | NA | | sugar_alcohol(inositol) | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
669 | | NA | | trihexose@13.1 | | | 0.0 | 0.0 | NA | 0 | NA | NA | 0 | |
670 | | C8H8O4 | | vanillic acid | Vanillic acid | | 0.0 | 0.0 | NA | 8468 | WKOLLVMJNQIZCI-UHFFFAOYSA-N | COC1=C(C=CC(=C1)C(=O)O)O | 30816 | |
671 | | C8H8O3 | | vanillin | vanillin | | 0.0 | 0.0 | NA | 1183 | MWOOGOJBHIARFG-UHFFFAOYSA-N | COC1=C(C=CC(=C1)C=O)O | 18346 | CHEMONTID:0000190 |
672 | | C10H14N2O6 | | 5-methyluridine | 5-Methyluridine | | 258.0852 | 2.28 | MandM | 445408 | DWRXFEITVBNRMK-JXOAFFINSA-N | CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O | 45996 | |
673 | | C4H7NO4 | | aspartic acid | L-aspartic acid | | 133.0375 | 16.04 | MandM | 5960 | CKLJMWTZIZZHCS-REOHCLBHSA-N | C(C(C(=O)O)N)C(=O)O | 17053 | |
674 | | C6H8O7 | | citric acid | citric acid | | 192.027 | 17.06 | MandM | 311 | ODBLHEXUDAPZAU-UHFFFAOYSA-N | C(C(=O)O)C(CC(=O)O)(C(=O)O)O | 30769 | CHEMONTID:0001986 |
675 | | C6H10N2O2 | | ectoine | ectoine | | 142.0742 | 12.06 | MandM | 126041 | WQXNXVUDBPYKBA-YFKPBYRVSA-N | CC1=NCCC(N1)C(=O)O | 27592 | |
676 | | C4H6O5 | | malic acid | malic acid | | 134.0215 | 14.4 | MandM | 525 | BJEPYKJPYRNKOW-UWTATZPHSA-N | C(C(C(=O)O)O)C(=O)O | 6650 | |
677 | | C6H14O6 | | mannitol | D-mannitol | | 182.079 | 9.03 | MandM | 6251 | FBPFZTCFMRRESA-KVTDHHQDSA-N | C(C(C(C(C(CO)O)O)O)O)O | 16899 | CHEMONTID:0000011 |
678 | | C8H15NO6 | | N-acetyl-glucosamine | N-acetyl-D-glucosamine | | 221.0899 | 6.68 | MandM | 439174 | OVRNDRQMDRJTHS-RTRLPJTCSA-N | CC(=O)NC1C(C(C(OC1O)CO)O)O | 506227 | |
679 | | C7H12N2O4 | | n-acetylglutamine | N-Acetyl-L-glutamine | | 188.0797 | 12.7 | MandM | 182230 | KSMRODHGGIIXDV-UHFFFAOYSA-N | CC(=O)NC(CCC(=O)N)C(=O)O | 21553 | |
680 | | C8H16N2O3 | | n-acetyllysine | 1946-82-3 | | 188.1161 | 13.47 | MandM | 92907 | DTERQYGMUDWYAZ-ZETCQYMHSA-N | CC(=O)NC(CCCCN)C(=O)O | 35704 | |
681 | | C11H19NO8 | | n-acetylmuramic acid | N-acetylmuramic acid | | 293.1111 | 12.63 | MandM | 5462244 | MNLRQHMNZILYPY-MKFCKLDKSA-N | CC(C(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C | 21615 | CHEMONTID:0000011 |
682 | | C3H4O3 | | pyruvic acid | Pyruvic acid | | 88.016 | 5.47 | MandM | 1060 | LCTONWCANYUPML-UHFFFAOYSA-N | CC(=O)C(=O)O | 32816 | |
683 | | C7H19N3 | | spermidine | spermidine | | 145.1579 | 8.31 | MandM | 1102 | ATHGHQPFGPMSJY-UHFFFAOYSA-N | C(CCNCCCN)CN | 16610 | |
684 | | C12H22O11 | | sucrose | sucrose | | 342.1162 | 13.18 | MandM | 5988 | CZMRCDWAGMRECN-UGDNZRGBSA-N | C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O | 17992 | CHEMONTID:0000011 |
685 | | C5H10O5 | | xylose | D-xylose | | 150.0528 | 3.83 | MandM | 135191 | PYMYPHUHKUWMLA-VPENINKCSA-N | C1C(C(C(C(O1)O)O)O)O | 53455 | |
688 | | C4H9NO2 | | gamma-Aminobutyric acid | 4-aminobutyric acid | | 103.0633 | 14.24 | MandM | 119 | BTCSSZJGUNDROE-UHFFFAOYSA-N | C(CC(=O)O)CN | 16865 | |