Mercurial > repos > fgiacomoni > downloader_bank_hmdb

comparison test-data/out01.tabular @ 2:be504ccbc41c draft default tip

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master branch Updating with tag :CI_COMMIT_TAG - - Fxx
author fgiacomoni
date Wed, 30 Nov 2022 16:14:27 +0000
parents 7c9269bded0e
children
comparison
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1:4373f936111d 2:be504ccbc41c
1 HMDB_ID MzBank [M+H]+ [M-H]- MetName ChemFormula INChIkey 1 HMDB_ID MzBank [M+H]+ [M-H]- MetName ChemFormula INChIkey
2 HMDB0000001 169.085126611 170.092403011 168.077850211 1-Methylhistidine C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N 2 HMDB0000001 169.085126611 170.092403011 168.077850211 1-Methylhistidine C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N
3 HMDB0000005 102.031694058 103.038970458 101.024417658 "2-Ketobutyric acid" C4H6O3 TYEYBOSBBBHJIV-UHFFFAOYSA-N 3 HMDB0000005 102.031694058 103.038970458 101.024417658 "2-Ketobutyric acid" C4H6O3 TYEYBOSBBBHJIV-UHFFFAOYSA-N
4 HMDB0000008 104.047344122 105.054620522 103.040067722 "2-Hydroxybutyric acid" C4H8O3 AFENDNXGAFYKQO-UHFFFAOYSA-N 4 HMDB0000008 104.047344118 105.054620518 103.040067718 "2-Hydroxybutyric acid" C4H8O3 AFENDNXGAFYKQO-VKHMYHEASA-N
5 HMDB0000011 104.047344122 105.054620522 103.040067722 "(R)-3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-GSVOUGTGSA-N 5 HMDB0000011 104.047344122 105.054620522 103.040067722 "3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-GSVOUGTGSA-N
6 HMDB0000012 228.074621504 229.081897904 227.067345104 Deoxyuridine C9H12N2O5 MXHRCPNRJAMMIM-SHYZEUOFSA-N 6 HMDB0000012 228.074621504 229.081897904 227.067345104 Deoxyuridine C9H12N2O5 MXHRCPNRJAMMIM-SHYZEUOFSA-N
7 HMDB0000017 183.053157781 184.060434181 182.045881381 "4-Pyridoxic acid" C8H9NO4 HXACOUQIXZGNBF-UHFFFAOYSA-N 7 HMDB0000017 183.053157781 184.060434181 182.045881381 "4-Pyridoxic acid" C8H9NO4 HXACOUQIXZGNBF-UHFFFAOYSA-N
8 HMDB0000019 116.047344122 117.054620522 115.040067722 "alpha-Ketoisovaleric acid" C5H8O3 QHKABHOOEWYVLI-UHFFFAOYSA-N 8 HMDB0000019 116.047344122 117.054620522 115.040067722 "alpha-Ketoisovaleric acid" C5H8O3 QHKABHOOEWYVLI-UHFFFAOYSA-N
9 HMDB0000020 152.047344122 153.054620522 151.040067722 "p-Hydroxyphenylacetic acid" C8H8O3 XQXPVVBIMDBYFF-UHFFFAOYSA-N 9 HMDB0000020 152.047344122 153.054620522 151.040067722 "p-Hydroxyphenylacetic acid" C8H8O3 XQXPVVBIMDBYFF-UHFFFAOYSA-N
10 HMDB0000022 167.094628665 168.101905065 166.087352265 3-Methoxytyramine C9H13NO2 DIVQKHQLANKJQO-UHFFFAOYSA-N 10 HMDB0000022 167.094628665 168.101905065 166.087352265 3-Methoxytyramine C9H13NO2 DIVQKHQLANKJQO-UHFFFAOYSA-N
11 HMDB0000023 104.047344122 105.054620522 103.040067722 "(S)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-VKHMYHEASA-N 11 HMDB0000023 104.047344122 105.054620522 103.040067722 "(S)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-VKHMYHEASA-N
12 HMDB0000026 132.053492132 133.060768532 131.046215732 "Ureidopropionic acid" C4H8N2O3 JSJWCHRYRHKBBW-UHFFFAOYSA-N 12 HMDB0000026 132.053492132 133.060768532 131.046215732 "Ureidopropionic acid" C4H8N2O3 JSJWCHRYRHKBBW-UHFFFAOYSA-N
13 HMDB0000027 241.117489371 242.124765771 240.110212971 Tetrahydrobiopterin C9H15N5O3 FNKQXYHWGSIFBK-UHFFFAOYSA-N 13 HMDB0000027 241.117489371 242.124765771 240.110212971 Tetrahydrobiopterin C9H15N5O3 FNKQXYHWGSIFBK-RPDRRWSUSA-N
14 HMDB0000030 244.088163078 245.095439478 243.080886678 Biotin C10H16N2O3S YBJHBAHKTGYVGT-ZKWXMUAHSA-N 14 HMDB0000030 244.088163078 245.095439478 243.080886678 Biotin C10H16N2O3S YBJHBAHKTGYVGT-ZKWXMUAHSA-N
15 HMDB0000031 290.224580204 291.231856604 289.217303804 Androsterone C19H30O2 QGXBDMJGAMFCBF-HLUDHZFRSA-N 15 HMDB0000031 290.224580204 291.231856604 289.217303804 Androsterone C19H30O2 QGXBDMJGAMFCBF-HLUDHZFRSA-N
16 HMDB0000032 384.33921603 385.34649243 383.33193963 7-Dehydrocholesterol C27H44O UCTLRSWJYQTBFZ-DDPQNLDTSA-N 16 HMDB0000032 384.33921603 385.34649243 383.33193963 7-Dehydrocholesterol C27H44O UCTLRSWJYQTBFZ-DDPQNLDTSA-N
17 HMDB0000034 135.054495185 136.061771585 134.047218785 Adenine C5H5N5 GFFGJBXGBJISGV-UHFFFAOYSA-N 17 HMDB0000034 135.054495185 136.061771585 134.047218785 Adenine C5H5N5 GFFGJBXGBJISGV-UHFFFAOYSA-N
18 HMDB0000038 239.101839307 240.109115707 238.094562907 Dihydrobiopterin C9H13N5O3 FEMXZDUTFRTWPE-UHFFFAOYSA-N 18 HMDB0000038 239.101839307 240.109115707 238.094562907 Dihydrobiopterin C9H13N5O3 FEMXZDUTFRTWPE-DZSWIPIPSA-N
19 HMDB0000039 88.0524295 89.0597059 87.0451531 "Butyric acid" C4H8O2 FERIUCNNQQJTOY-UHFFFAOYSA-N 19 HMDB0000039 88.0524295 89.0597059 87.0451531 "Butyric acid" C4H8O2 FERIUCNNQQJTOY-UHFFFAOYSA-N
20 HMDB0000042 60.021129372 61.028405772 59.013852972 "Acetic acid" C2H4O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N 20 HMDB0000042 60.021129372 61.028405772 59.013852972 "Acetic acid" C2H4O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N
21 HMDB0000044 176.032087988 177.039364388 175.024811588 "Ascorbic acid" C6H8O6 CIWBSHSKHKDKBQ-JLAZNSOCSA-N 21 HMDB0000044 176.032087988 177.039364388 175.024811588 "Ascorbic acid" C6H8O6 CIWBSHSKHKDKBQ-JLAZNSOCSA-N
22 HMDB0000045 347.063084339 348.070360739 346.055807939 "Adenosine monophosphate" C10H14N5O7P UDMBCSSLTHHNCD-KQYNXXCUSA-N 22 HMDB0000045 347.063084339 348.070360739 346.055807939 "Adenosine monophosphate" C10H14N5O7P UDMBCSSLTHHNCD-KQYNXXCUSA-N
23 HMDB0000050 267.096753929 268.104030329 266.089477529 Adenosine C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N 23 HMDB0000050 267.096753929 268.104030329 266.089477529 Adenosine C10H13N5O4 OIRDTQYFTABQOQ-KQYNXXCUSA-N
25 HMDB0000053 286.193280076 287.200556476 285.186003676 Androstenedione C19H26O2 AEMFNILZOJDQLW-QAGGRKNESA-N 25 HMDB0000053 286.193280076 287.200556476 285.186003676 Androstenedione C19H26O2 AEMFNILZOJDQLW-QAGGRKNESA-N
26 HMDB0000054 584.263484904 585.270761304 583.256208504 Bilirubin C33H36N4O6 BPYKTIZUTYGOLE-IFADSCNNSA-N 26 HMDB0000054 584.263484904 585.270761304 583.256208504 Bilirubin C33H36N4O6 BPYKTIZUTYGOLE-IFADSCNNSA-N
27 HMDB0000056 89.047678473 90.054954873 88.040402073 beta-Alanine C3H7NO2 UCMIRNVEIXFBKS-UHFFFAOYSA-N 27 HMDB0000056 89.047678473 90.054954873 88.040402073 beta-Alanine C3H7NO2 UCMIRNVEIXFBKS-UHFFFAOYSA-N
28 HMDB0000058 329.052519653 330.059796053 328.045243253 "Cyclic AMP" C10H12N5O6P IVOMOUWHDPKRLL-KQYNXXCUSA-N 28 HMDB0000058 329.052519653 330.059796053 328.045243253 "Cyclic AMP" C10H12N5O6P IVOMOUWHDPKRLL-KQYNXXCUSA-N
29 HMDB0000060 102.031694058 103.038970458 101.024417658 "Acetoacetic acid" C4H6O3 WDJHALXBUFZDSR-UHFFFAOYSA-N 29 HMDB0000060 102.031694058 103.038970458 101.024417658 "Acetoacetic acid" C4H6O3 WDJHALXBUFZDSR-UHFFFAOYSA-N
30 HMDB0000062 161.105193351 162.112469751 160.097916951 L-Carnitine C7H15NO3 PHIQHXFUZVPYII-ZCFIWIBFSA-N 30 HMDB0000062 162.113018383 163.120294783 161.105741983 L-Carnitine C7H16NO3 PHIQHXFUZVPYII-ZCFIWIBFSA-O
31 HMDB0000063 362.20932407 363.21660047 361.20204767 Cortisol C21H30O5 JYGXADMDTFJGBT-VWUMJDOOSA-N 31 HMDB0000063 362.20932407 363.21660047 361.20204767 Cortisol C21H30O5 JYGXADMDTFJGBT-VWUMJDOOSA-N
32 HMDB0000064 131.069476547 132.076752947 130.062200147 Creatine C4H9N3O2 CVSVTCORWBXHQV-UHFFFAOYSA-N 32 HMDB0000064 131.069476547 132.076752947 130.062200147 Creatine C4H9N3O2 CVSVTCORWBXHQV-UHFFFAOYSA-N
33 HMDB0000067 386.354866094 387.362142494 385.347589694 Cholesterol C27H46O HVYWMOMLDIMFJA-DPAQBDIFSA-N 33 HMDB0000067 386.354866094 387.362142494 385.347589694 Cholesterol C27H46O HVYWMOMLDIMFJA-DPAQBDIFSA-N
34 HMDB0000068 183.089543287 184.096819687 182.082266887 Epinephrine C9H13NO3 UCTWMZQNUQWSLP-VIFPVBQESA-N 34 HMDB0000068 183.089543287 184.096819687 182.082266887 Epinephrine C9H13NO3 UCTWMZQNUQWSLP-VIFPVBQESA-N
35 HMDB0000070 129.078978601 130.086255001 128.071702201 "Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-UHFFFAOYSA-N 35 HMDB0000070 129.078978601 130.086255001 128.071702201 "Pipecolic acid" C6H11NO2 HXEACLLIILLPRG-UHFFFAOYSA-N
36 HMDB0000072 174.016437924 175.023714324 173.009161524 "cis-Aconitic acid" C6H6O6 GTZCVFVGUGFEME-IWQZZHSRSA-N 36 HMDB0000072 174.016437924 175.023714324 173.009161524 "cis-Aconitic acid" C6H6O6 GTZCVFVGUGFEME-IWQZZHSRSA-N
37 HMDB0000073 153.078978601 154.086255001 152.071702201 Dopamine C8H11NO2 VYFYYTLLBUKUHU-UHFFFAOYSA-N 37 HMDB0000073 153.078978601 154.086255001 152.071702201 Dopamine C8H11NO2 VYFYYTLLBUKUHU-UHFFFAOYSA-N
38 HMDB0000076 114.042927446 115.050203846 113.035651046 Dihydrouracil C4H6N2O2 OIVLITBTBDPEFK-UHFFFAOYSA-N 38 HMDB0000076 114.042927446 115.050203846 113.035651046 Dihydrouracil C4H6N2O2 OIVLITBTBDPEFK-UHFFFAOYSA-N
39 HMDB0000077 288.20893014 289.21620654 287.20165374 Dehydroepiandrosterone C19H28O2 FMGSKLZLMKYGDP-USOAJAOKSA-N 39 HMDB0000077 288.20893014 289.21620654 287.20165374 Dehydroepiandrosterone C19H28O2 FMGSKLZLMKYGDP-USOAJAOKSA-N
40 HMDB0000078 178.041212886 179.048489286 177.033936486 Cysteinylglycine C5H10N2O3S ZUKPVRWZDMRIEO-VKHMYHEASA-N 40 HMDB0000078 178.041212886 179.048489286 177.033936486 Cysteinylglycine C5H10N2O3S ZUKPVRWZDMRIEO-VKHMYHEASA-N
41 HMDB0000079 128.05857751 129.06585391 127.05130111 Dihydrothymine C5H8N2O2 NBAKTGXDIBVZOO-UHFFFAOYSA-N 41 HMDB0000079 128.058577506 129.065853906 127.051301106 Dihydrothymine C5H8N2O2 NBAKTGXDIBVZOO-VKHMYHEASA-N
42 HMDB0000086 257.102823889 258.110100289 256.095547489 Glycerophosphocholine C8H20NO6P SUHOQUVVVLNYQR-QMMMGPOBSA-N 42 HMDB0000086 257.102824366 258.110100766 256.095547966 Glycerophosphocholine C8H20NO6P SUHOQUVVVLNYQR-MRVPVSSYSA-N
43 HMDB0000087 45.057849229 46.065125629 44.050572829 Dimethylamine C2H7N ROSDSFDQCJNGOL-UHFFFAOYSA-N 43 HMDB0000087 45.057849229 46.065125629 44.050572829 Dimethylamine C2H7N ROSDSFDQCJNGOL-UHFFFAOYSA-N
44 HMDB0000089 243.085520541 244.092796941 242.078244141 Cytidine C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N 44 HMDB0000089 243.085520541 244.092796941 242.078244141 Cytidine C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N
45 HMDB0000094 192.02700261 193.03427901 191.01972621 "Citric acid" C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N 45 HMDB0000094 192.02700261 193.03427901 191.01972621 "Citric acid" C6H8O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N
46 HMDB0000097 104.107539075 105.114815475 103.100262675 Choline C5H14NO OEYIOHPDSNJKLS-UHFFFAOYSA-N 46 HMDB0000097 104.107539075 105.114815475 103.100262675 Choline C5H14NO OEYIOHPDSNJKLS-UHFFFAOYSA-N
47 HMDB0000099 222.067427636 223.074704036 221.060151236 L-Cystathionine C7H14N2O4S ILRYLPWNYFXEMH-WHFBIAKZSA-N 47 HMDB0000099 222.067427636 223.074704036 221.060151236 L-Cystathionine C7H14N2O4S ILRYLPWNYFXEMH-WHFBIAKZSA-N
50 HMDB0000112 103.063328537 104.070604937 102.056052137 "gamma-Aminobutyric acid" C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N 50 HMDB0000112 103.063328537 104.070604937 102.056052137 "gamma-Aminobutyric acid" C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N
51 HMDB0000115 76.016043994 77.023320394 75.008767594 "Glycolic acid" C2H4O3 AEMRFAOFKBGASW-UHFFFAOYSA-N 51 HMDB0000115 76.016043994 77.023320394 75.008767594 "Glycolic acid" C2H4O3 AEMRFAOFKBGASW-UHFFFAOYSA-N
52 HMDB0000118 182.057908808 183.065185208 181.050632408 "Homovanillic acid" C9H10O4 QRMZSPFSDQBLIX-UHFFFAOYSA-N 52 HMDB0000118 182.057908808 183.065185208 181.050632408 "Homovanillic acid" C9H10O4 QRMZSPFSDQBLIX-UHFFFAOYSA-N
53 HMDB0000119 74.00039393 75.00767033 72.99311753 "Glyoxylic acid" C2H2O3 HHLFWLYXYJOTON-UHFFFAOYSA-N 53 HMDB0000119 74.00039393 75.00767033 72.99311753 "Glyoxylic acid" C2H2O3 HHLFWLYXYJOTON-UHFFFAOYSA-N
54 HMDB0000121 441.139681375 442.146957775 440.132404975 "Folic acid" C19H19N7O6 OVBPIULPVIDEAO-LBPRGKRZSA-N 54 HMDB0000121 441.139681375 442.146957775 440.132404975 "Folic acid" C19H19N7O6 OVBPIULPVIDEAO-LBPRGKRZSA-N
55 HMDB0000122 180.063388116 181.070664516 179.056111716 D-Glucose C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 55 HMDB0000122 180.063388116 181.070664516 179.056111716 D-Glucose C6H12O6 WQZGKKKJIJFFOK-VFUOTHLCSA-N
56 HMDB0000123 75.032028409 76.039304809 74.024752009 Glycine C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N 56 HMDB0000123 75.032028409 76.039304809 74.024752009 Glycine C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N
57 HMDB0000125 307.083805981 308.091082381 306.076529581 Glutathione C10H17N3O6S RWSXRVCMGQZWBV-WDSKDSINSA-N 57 HMDB0000125 307.083805981 308.091082381 306.076529581 Glutathione C10H17N3O6S RWSXRVCMGQZWBV-WDSKDSINSA-N
58 HMDB0000128 117.053826483 118.061102883 116.046550083 "Guanidoacetic acid" C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N 58 HMDB0000128 117.053826483 118.061102883 116.046550083 "Guanidoacetic acid" C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N
59 HMDB0000131 92.047344122 93.054620522 91.040067722 Glycerol C3H8O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N 59 HMDB0000131 92.047344122 93.054620522 91.040067722 Glycerol C3H8O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N
60 HMDB0000134 116.010958616 117.018235016 115.003682216 "Fumaric acid" C4H4O4 VZCYOOQTPOCHFL-OWOJBTEDSA-N 60 HMDB0000134 116.010958616 117.018235016 115.003682216 "Fumaric acid" C4H4O4 VZCYOOQTPOCHFL-OWOJBTEDSA-N
62 HMDB0000142 46.005479308 47.012755708 44.998202908 "Formic acid" CH2O2 BDAGIHXWWSANSR-UHFFFAOYSA-N 62 HMDB0000142 46.005479308 47.012755708 44.998202908 "Formic acid" CH2O2 BDAGIHXWWSANSR-UHFFFAOYSA-N
63 HMDB0000143 180.063388116 181.070664516 179.056111716 D-Galactose C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 63 HMDB0000143 180.063388116 181.070664516 179.056111716 D-Galactose C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N
64 HMDB0000148 147.053157781 148.060434181 146.045881381 "L-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 64 HMDB0000148 147.053157781 148.060434181 146.045881381 "L-Glutamic acid" C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N
65 HMDB0000149 61.052763851 62.060040251 60.045487451 Ethanolamine C2H7NO HZAXFHJVJLSVMW-UHFFFAOYSA-N 65 HMDB0000149 61.052763851 62.060040251 60.045487451 Ethanolamine C2H7NO HZAXFHJVJLSVMW-UHFFFAOYSA-N
66 HMDB0000151 272.177630012 273.184906412 271.170353612 Estradiol C18H24O2 VOXZDWNPVJITMN-ZBRFXRBCSA-N 66 HMDB0000151 272.177630012 273.184906412 271.170353612 Estradiol C18H24O2 VOXZDWNPVJITMN-ZBRFXRBCSA-N
67 HMDB0000156 134.021523302 135.028799702 133.014246902 "L-Malic acid" C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N 67 HMDB0000156 134.021523302 135.028799702 133.014246902 "Malic acid" C4H6O5 BJEPYKJPYRNKOW-REOHCLBHSA-N
68 HMDB0000157 136.03851077 137.04578717 135.03123437 Hypoxanthine C5H4N4O FDGQSTZJBFJUBT-UHFFFAOYSA-N 68 HMDB0000157 136.03851077 137.04578717 135.03123437 Hypoxanthine C5H4N4O FDGQSTZJBFJUBT-UHFFFAOYSA-N
69 HMDB0000158 181.073893223 182.081169623 180.066616823 L-Tyrosine C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N 69 HMDB0000158 181.073893223 182.081169623 180.066616823 L-Tyrosine C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N
70 HMDB0000159 165.078978601 166.086255001 164.071702201 L-Phenylalanine C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N 70 HMDB0000159 165.078978601 166.086255001 164.071702201 L-Phenylalanine C9H11NO2 COLNVLDHVKWLRT-QMMMGPOBSA-N
71 HMDB0000161 89.047678473 90.054954873 88.040402073 L-Alanine C3H7NO2 QNAYBMKLOCPYGJ-REOHCLBHSA-N 71 HMDB0000161 89.047678473 90.054954873 88.040402073 L-Alanine C3H7NO2 QNAYBMKLOCPYGJ-REOHCLBHSA-N
72 HMDB0000162 115.063328537 116.070604937 114.056052137 L-Proline C5H9NO2 ONIBWKKTOPOVIA-BYPYZUCNSA-N 72 HMDB0000162 115.063328537 116.070604937 114.056052137 L-Proline C5H9NO2 ONIBWKKTOPOVIA-BYPYZUCNSA-N
73 HMDB0000167 119.058243159 120.065519559 118.050966759 L-Threonine C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N 73 HMDB0000167 119.058243159 120.065519559 118.050966759 L-Threonine C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N
74 HMDB0000168 132.053492132 133.060768532 131.046215732 L-Asparagine C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N 74 HMDB0000168 132.053492132 133.060768532 131.046215732 L-Asparagine C4H8N2O3 DCXYFEDJOCDNAF-REOHCLBHSA-N
75 HMDB0000169 180.063388116 181.070664516 179.056111716 D-Mannose C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 75 HMDB0000169 180.063388116 181.070664516 179.056111716 D-Mannose C6H12O6 WQZGKKKJIJFFOK-PQMKYFCFSA-N
76 HMDB0000172 131.094628665 132.101905065 130.087352265 L-Isoleucine C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N 76 HMDB0000172 131.094628665 132.101905065 130.087352265 L-Isoleucine C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N
77 HMDB0000175 348.047099924 349.054376324 347.039823524 "Inosinic acid" C10H13N4O8P GRSZFWQUAKGDAV-KQYNXXCUSA-N 77 HMDB0000175 348.047099924 349.054376324 347.039823524 "Inosinic acid" C10H13N4O8P GRSZFWQUAKGDAV-KQYNXXCUSA-N
78 HMDB0000177 155.069476547 156.076752947 154.062200147 L-Histidine C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N 78 HMDB0000177 155.069476547 156.076752947 154.062200147 L-Histidine C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N
79 HMDB0000181 197.068807845 198.076084245 196.061531445 L-Dopa C9H11NO4 WTDRDQBEARUVNC-LURJTMIESA-N 79 HMDB0000181 197.068807845 198.076084245 196.061531445 L-Dopa C9H11NO4 WTDRDQBEARUVNC-LURJTMIESA-N
80 HMDB0000182 146.105527702 147.112804102 145.098251302 L-Lysine C6H14N2O2 KDXKERNSBIXSRK-YFKPBYRVSA-N 80 HMDB0000182 146.105527702 147.112804102 145.098251302 L-Lysine C6H14N2O2 KDXKERNSBIXSRK-YFKPBYRVSA-N
83 HMDB0000191 133.037507717 134.044784117 132.030231317 "L-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-REOHCLBHSA-N 83 HMDB0000191 133.037507717 134.044784117 132.030231317 "L-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-REOHCLBHSA-N
84 HMDB0000192 240.023848262 241.031124662 239.016571862 L-Cystine C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N 84 HMDB0000192 240.023848262 241.031124662 239.016571862 L-Cystine C6H12N2O4S2 LEVWYRKDKASIDU-IMJSIDKUSA-N
85 HMDB0000193 192.02700261 193.03427901 191.01972621 "Isocitric acid" C6H8O7 ODBLHEXUDAPZAU-UHFFFAOYSA-N 85 HMDB0000193 192.02700261 193.03427901 191.01972621 "Isocitric acid" C6H8O7 ODBLHEXUDAPZAU-UHFFFAOYSA-N
86 HMDB0000195 268.080769514 269.088045914 267.073493114 Inosine C10H12N4O5 UGQMRVRMYYASKQ-KQYNXXCUSA-N 86 HMDB0000195 268.080769514 269.088045914 267.073493114 Inosine C10H12N4O5 UGQMRVRMYYASKQ-KQYNXXCUSA-N
87 HMDB0000197 175.063328537 176.070604937 174.056052137 "Indoleacetic acid" C10H9NO2 SEOVTRFCIGRIMH-UHFFFAOYSA-N 87 HMDB0000197 175.063328537 176.070604937 174.056052137 "Indoleacetic acid" C10H9NO2 SEOVTRFCIGRIMH-UHFFFAOYSA-N
88 HMDB0000201 203.115758031 204.123034431 202.108481631 L-Acetylcarnitine C9H17NO4 RDHQFKQIGNGIED-MRVPVSSYSA-N 88 HMDB0000201 204.123583069 205.130859469 203.116306669 L-Acetylcarnitine C9H18NO4 RDHQFKQIGNGIED-MRVPVSSYSA-O
89 HMDB0000202 118.02660868 119.03388508 117.01933228 "Methylmalonic acid" C4H6O4 ZIYVHBGGAOATLY-UHFFFAOYSA-N 89 HMDB0000202 118.02660868 119.03388508 117.01933228 "Methylmalonic acid" C4H6O4 ZIYVHBGGAOATLY-UHFFFAOYSA-N
90 HMDB0000207 282.255880332 283.263156732 281.248603932 "Oleic acid" C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N 90 HMDB0000207 282.255880332 283.263156732 281.248603932 "Oleic acid" C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N
91 HMDB0000208 146.021523302 147.028799702 145.014246902 "Oxoglutaric acid" C5H6O5 KPGXRSRHYNQIFN-UHFFFAOYSA-N 91 HMDB0000208 146.021523302 147.028799702 145.014246902 "Oxoglutaric acid" C5H6O5 KPGXRSRHYNQIFN-UHFFFAOYSA-N
92 HMDB0000209 136.0524295 137.0597059 135.0451531 "Phenylacetic acid" C8H8O2 WLJVXDMOQOGPHL-UHFFFAOYSA-N 92 HMDB0000209 136.0524295 137.0597059 135.0451531 "Phenylacetic acid" C8H8O2 WLJVXDMOQOGPHL-UHFFFAOYSA-N
93 HMDB0000210 219.110672659 220.117949059 218.103396259 "Pantothenic acid" C9H17NO5 GHOKWGTUZJEAQD-ZETCQYMHSA-N 93 HMDB0000210 219.110672659 220.117949059 218.103396259 "Pantothenic acid" C9H17NO5 GHOKWGTUZJEAQD-ZETCQYMHSA-N
124 HMDB0000300 112.027277382 113.034553782 111.020000982 Uracil C4H4N2O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N 124 HMDB0000300 112.027277382 113.034553782 111.020000982 Uracil C4H4N2O2 ISAKRJDGNUQOIC-UHFFFAOYSA-N
125 HMDB0000317 132.07864425 133.08592065 131.07136785 "2-Hydroxy-3-methylpentanoic acid" C6H12O3 RILPIWOPNGRASR-RFZPGFLSSA-N 125 HMDB0000317 132.07864425 133.08592065 131.07136785 "2-Hydroxy-3-methylpentanoic acid" C6H12O3 RILPIWOPNGRASR-RFZPGFLSSA-N
126 HMDB0000318 170.057908808 171.065185208 169.050632408 3,4-Dihydroxyphenylglycol C8H10O4 MTVWFVDWRVYDOR-UHFFFAOYSA-N 126 HMDB0000318 170.057908808 171.065185208 169.050632408 3,4-Dihydroxyphenylglycol C8H10O4 MTVWFVDWRVYDOR-UHFFFAOYSA-N
127 HMDB0000336 104.047344122 105.054620522 103.040067722 "(R)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-GSVOUGTGSA-N 127 HMDB0000336 104.047344122 105.054620522 103.040067722 "(R)-3-Hydroxyisobutyric acid" C4H8O3 DBXBTMSZEOQQDU-GSVOUGTGSA-N
128 HMDB0000337 120.042258744 121.049535144 119.034982344 "(S)-3,4-Dihydroxybutyric acid" C4H8O4 DZAIOXUZHHTJKN-UHFFFAOYSA-N 128 HMDB0000337 120.042258744 121.049535144 119.034982344 "(S)-3,4-Dihydroxybutyric acid" C4H8O4 DZAIOXUZHHTJKN-UHFFFAOYSA-N
129 HMDB0000357 104.047344122 105.054620522 103.040067722 "3-Hydroxybutyric acid" C4H8O3 WHBMMWSBFZVSSR-UHFFFAOYSA-N
130 HMDB0000360 120.042258744 121.049535144 119.034982344 "2,4-Dihydroxybutanoic acid" C4H8O4 UFYGCFHQAXXBCF-UHFFFAOYSA-N 129 HMDB0000360 120.042258744 121.049535144 119.034982344 "2,4-Dihydroxybutanoic acid" C4H8O4 UFYGCFHQAXXBCF-UHFFFAOYSA-N
131 HMDB0000379 206.042652674 207.049929074 205.035376274 "2-Methylcitric acid" C7H10O7 YNOXCRMFGMSKIJ-UHFFFAOYSA-N 130 HMDB0000379 206.042652674 207.049929074 205.035376274 "2-Methylcitric acid" C7H10O7 YNOXCRMFGMSKIJ-UHFFFAOYSA-N
132 HMDB0000407 118.062994186 119.070270586 117.055717786 "2-Hydroxy-3-methylbutyric acid" C5H10O3 NGEWQZIDQIYUNV-UHFFFAOYSA-N 131 HMDB0000407 118.062994186 119.070270586 117.055717786 "2-Hydroxy-3-methylbutyric acid" C5H10O3 NGEWQZIDQIYUNV-UHFFFAOYSA-N
133 HMDB0000428 148.037173366 149.044449766 147.029896966 "3-Hydroxyglutaric acid" C5H8O5 ZQHYXNSQOIDNTL-UHFFFAOYSA-N 132 HMDB0000428 148.037173366 149.044449766 147.029896966 "3-Hydroxyglutaric acid" C5H8O5 ZQHYXNSQOIDNTL-UHFFFAOYSA-N
134 HMDB0000440 152.047344122 153.054620522 151.040067722 "3-Hydroxyphenylacetic acid" C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N 133 HMDB0000440 152.047344122 153.054620522 151.040067722 "3-Hydroxyphenylacetic acid" C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N
139 HMDB0000464 39.962591155 40.969867555 38.955314755 Calcium Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N 138 HMDB0000464 39.962591155 40.969867555 38.955314755 Calcium Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N
140 HMDB0000468 237.086189243 238.093465643 236.078912843 Biopterin C9H11N5O3 LHQIJBMDNUYRAM-DZSWIPIPSA-N 139 HMDB0000468 237.086189243 238.093465643 236.078912843 Biopterin C9H11N5O3 LHQIJBMDNUYRAM-DZSWIPIPSA-N
141 HMDB0000472 220.08479226 221.09206866 219.07751586 5-Hydroxy-L-tryptophan C11H12N2O3 LDCYZAJDBXYCGN-VIFPVBQESA-N 140 HMDB0000472 220.08479226 221.09206866 219.07751586 5-Hydroxy-L-tryptophan C11H12N2O3 LDCYZAJDBXYCGN-VIFPVBQESA-N
142 HMDB0000479 169.085126611 170.092403011 168.077850211 3-Methylhistidine C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N 141 HMDB0000479 169.085126611 170.092403011 168.077850211 3-Methylhistidine C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N
143 HMDB0000482 144.115029756 145.122306156 143.107753356 "Caprylic acid" C8H16O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N 142 HMDB0000482 144.115029756 145.122306156 143.107753356 "Caprylic acid" C8H16O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N
144 HMDB0000491 130.062994186 131.070270586 129.055717786 "3-Methyl-2-oxovaleric acid" C6H10O3 JVQYSWDUAOAHFM-UHFFFAOYSA-N 143 HMDB0000491 130.062994186 131.070270586 129.055717786 "3-Methyl-2-oxovaleric acid" C6H10O3 JVQYSWDUAOAHFM-BYPYZUCNSA-N
145 HMDB0000492 34.968852707 35.976129107 33.961576307 "Chloride ion" Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M 144 HMDB0000492 34.968852707 35.976129107 33.961576307 "Chloride ion" Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M
146 HMDB0000500 138.031694053 139.038970453 137.024417653 "4-Hydroxybenzoic acid" C7H6O3 FJKROLUGYXJWQN-UHFFFAOYSA-N 145 HMDB0000500 138.031694053 139.038970453 137.024417653 "4-Hydroxybenzoic acid" C7H6O3 FJKROLUGYXJWQN-UHFFFAOYSA-N
147 HMDB0000501 400.334130652 401.341407052 399.326854252 7-Ketocholesterol C27H44O2 YIKKMWSQVKJCOP-QJFKPLHKSA-N 146 HMDB0000501 400.334130652 401.341407052 399.326854252 7-Ketocholesterol C27H44O2 YIKKMWSQVKJCOP-QJFKPLHKSA-N
148 HMDB0000508 152.068473494 153.075749894 151.061197094 Ribitol C5H12O5 HEBKCHPVOIAQTA-ZXFHETKHSA-N 147 HMDB0000508 152.068473494 153.075749894 151.061197094 Ribitol C5H12O5 HEBKCHPVOIAQTA-ZXFHETKHSA-N
149 HMDB0000517 174.111675712 175.118952112 173.104399312 L-Arginine C6H14N4O2 ODKSFYDXXFIFQN-BYPYZUCNSA-N 148 HMDB0000517 174.111675712 175.118952112 173.104399312 L-Arginine C6H14N4O2 ODKSFYDXXFIFQN-BYPYZUCNSA-N
165 HMDB0000608 58.933200194 59.940476594 57.925923794 Cobalt Co XLJKHNWPARRRJB-UHFFFAOYSA-N 164 HMDB0000608 58.933200194 59.940476594 57.925923794 Cobalt Co XLJKHNWPARRRJB-UHFFFAOYSA-N
166 HMDB0000613 136.037173366 137.044449766 135.029896966 "Erythronic acid" C4H8O5 JPIJQSOTBSSVTP-PWNYCUMCSA-N 165 HMDB0000613 136.037173366 137.044449766 135.029896966 "Erythronic acid" C4H8O5 JPIJQSOTBSSVTP-PWNYCUMCSA-N
167 HMDB0000622 132.042258744 133.049535144 131.034982344 "Ethylmalonic acid" C5H8O4 UKFXDFUAPNAMPJ-UHFFFAOYSA-N 166 HMDB0000622 132.042258744 133.049535144 131.034982344 "Ethylmalonic acid" C5H8O4 UKFXDFUAPNAMPJ-UHFFFAOYSA-N
168 HMDB0000638 200.177630012 201.184906412 199.170353612 "Dodecanoic acid" C12H24O2 POULHZVOKOAJMA-UHFFFAOYSA-N 167 HMDB0000638 200.177630012 201.184906412 199.170353612 "Dodecanoic acid" C12H24O2 POULHZVOKOAJMA-UHFFFAOYSA-N
169 HMDB0000641 146.069142196 147.076418596 145.061865796 L-Glutamine C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N 168 HMDB0000641 146.069142196 147.076418596 145.061865796 L-Glutamine C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N
170 HMDB0000646 150.05282343 151.06009983 149.04554703 L-Arabinose C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N 169 HMDB0000646 150.05282343 151.06009983 149.04554703 L-Arabinose C5H10O5 SRBFZHDQGSBBOR-KLVWXMOXSA-N
171 HMDB0000657 62.929601079 63.936877479 61.922324679 Copper Cu JPVYNHNXODAKFH-UHFFFAOYSA-N 170 HMDB0000657 62.929601079 63.936877479 61.922324679 Copper Cu JPVYNHNXODAKFH-UHFFFAOYSA-N
172 HMDB0000660 180.063388116 181.070664516 179.056111716 D-Fructose C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 171 HMDB0000660 180.063388116 181.070664516 179.056111716 D-Fructose C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N
173 HMDB0000661 132.042258744 133.049535144 131.034982344 "Glutaric acid" C5H8O4 JFCQEDHGNNZCLN-UHFFFAOYSA-N 172 HMDB0000661 132.042258744 133.049535144 131.034982344 "Glutaric acid" C5H8O4 JFCQEDHGNNZCLN-UHFFFAOYSA-N
174 HMDB0000670 188.127325776 189.134602176 187.120049376 Homo-L-arginine C7H16N4O2 QUOGESRFPZDMMT-YFKPBYRVSA-N 173 HMDB0000670 188.127325776 189.134602176 187.120049376 Homo-L-arginine C7H16N4O2 QUOGESRFPZDMMT-YFKPBYRVSA-N
175 HMDB0000673 280.240230268 281.247506668 279.232953868 "Linoleic acid" C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N 174 HMDB0000673 280.240230268 281.247506668 279.232953868 "Linoleic acid" C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N
185 HMDB0000700 90.031694058 91.038970458 89.024417658 "Hydroxypropionic acid" C3H6O3 ALRHLSYJTWAHJZ-UHFFFAOYSA-N 184 HMDB0000700 90.031694058 91.038970458 89.024417658 "Hydroxypropionic acid" C3H6O3 ALRHLSYJTWAHJZ-UHFFFAOYSA-N
186 HMDB0000710 104.047344122 105.054620522 103.040067722 "4-Hydroxybutyric acid" C4H8O3 SJZRECIVHVDYJC-UHFFFAOYSA-N 185 HMDB0000710 104.047344122 105.054620522 103.040067722 "4-Hydroxybutyric acid" C4H8O3 SJZRECIVHVDYJC-UHFFFAOYSA-N
187 HMDB0000714 179.058243159 180.065519559 178.050966759 "Hippuric acid" C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N 186 HMDB0000714 179.058243159 180.065519559 178.050966759 "Hippuric acid" C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N
188 HMDB0000715 189.042593095 190.049869495 188.035316695 "Kynurenic acid" C10H7NO3 HCZHHEIFKROPDY-UHFFFAOYSA-N 187 HMDB0000715 189.042593095 190.049869495 188.035316695 "Kynurenic acid" C10H7NO3 HCZHHEIFKROPDY-UHFFFAOYSA-N
189 HMDB0000718 102.068079564 103.075355964 101.060803164 "Isovaleric acid" C5H10O2 GWYFCOCPABKNJV-UHFFFAOYSA-N 188 HMDB0000718 102.068079564 103.075355964 101.060803164 "Isovaleric acid" C5H10O2 GWYFCOCPABKNJV-UHFFFAOYSA-N
190 HMDB0000721 172.08479226 173.09206866 171.07751586 Glycylproline C7H12N2O3 KZNQNBZMBZJQJO-UHFFFAOYSA-N 189 HMDB0000721 172.08479226 173.09206866 171.07751586 Glycylproline C7H12N2O3 KZNQNBZMBZJQJO-YFKPBYRVSA-N
191 HMDB0000725 131.058243159 132.065519559 130.050966759 4-Hydroxyproline C5H9NO3 PMMYEEVYMWASQN-DMTCNVIQSA-N 190 HMDB0000725 131.058243159 132.065519559 130.050966759 4-Hydroxyproline C5H9NO3 PMMYEEVYMWASQN-DMTCNVIQSA-N
192 HMDB0000742 135.035399227 136.042675627 134.028122827 Homocysteine C4H9NO2S FFFHZYDWPBMWHY-UHFFFAOYSA-N 191 HMDB0000742 135.035399227 136.042675627 134.028122827 Homocysteine C4H9NO2S FFFHZYDWPBMWHY-VKHMYHEASA-N
193 HMDB0000744 134.021523302 135.028799702 133.014246902 "Malic acid" C4H6O5 BJEPYKJPYRNKOW-UHFFFAOYSA-N
194 HMDB0000745 240.122240398 241.129516798 239.114963998 Homocarnosine C10H16N4O3 CCLQKVKJOGVQLU-QMMMGPOBSA-N 192 HMDB0000745 240.122240398 241.129516798 239.114963998 Homocarnosine C10H16N4O3 CCLQKVKJOGVQLU-QMMMGPOBSA-N
195 HMDB0000746 132.07864425 133.08592065 131.07136785 "Hydroxyisocaproic acid" C6H12O3 LVRFTAZAXQPQHI-YFKPBYRVSA-N 193 HMDB0000746 132.07864425 133.08592065 131.07136785 "Hydroxyisocaproic acid" C6H12O3 LVRFTAZAXQPQHI-YFKPBYRVSA-N
196 HMDB0000751 150.05282343 151.06009983 149.04554703 L-Threo-2-pentulose C5H10O5 ZAQJHHRNXZUBTE-WVZVXSGGSA-N 194 HMDB0000751 150.052823422 151.060099822 149.045547022 L-Xylulose C5H10O5 LQXVFWRQNMEDEE-LMVFSUKVSA-N
197 HMDB0000754 118.062994186 119.070270586 117.055717786 "3-Hydroxyisovaleric acid" C5H10O3 AXFYFNCPONWUHW-UHFFFAOYSA-N 195 HMDB0000754 118.062994186 119.070270586 117.055717786 "3-Hydroxyisovaleric acid" C5H10O3 AXFYFNCPONWUHW-UHFFFAOYSA-N
198 HMDB0000755 182.057908808 183.065185208 181.050632408 "Hydroxyphenyllactic acid" C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N 196 HMDB0000755 182.057908808 183.065185208 181.050632408 "Hydroxyphenyllactic acid" C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N
199 HMDB0000763 191.058243159 192.065519559 190.050966759 "5-Hydroxyindoleacetic acid" C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N 197 HMDB0000763 191.058243159 192.065519559 190.050966759 "5-Hydroxyindoleacetic acid" C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N
200 HMDB0000765 182.07903818 183.08631458 181.07176178 Mannitol C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N 198 HMDB0000765 182.07903818 183.08631458 181.07176178 Mannitol C6H14O6 FBPFZTCFMRRESA-KVTDHHQDSA-N
201 HMDB0000784 188.104859 189.1121354 187.0975826 "Azelaic acid" C9H16O4 BDJRBEYXGGNYIS-UHFFFAOYSA-N 199 HMDB0000784 188.104859 189.1121354 187.0975826 "Azelaic acid" C9H16O4 BDJRBEYXGGNYIS-UHFFFAOYSA-N
202 HMDB0000787 241.117489371 242.124765771 240.110212971 Sapropterin C9H15N5O3 FNKQXYHWGSIFBK-BYAPIUGTSA-N
203 HMDB0000797 454.073708604 455.080985004 453.066432204 SAICAR C13H19N4O12P NAQGHJTUZRHGAC-ZZZDFHIKSA-N 200 HMDB0000797 454.073708604 455.080985004 453.066432204 SAICAR C13H19N4O12P NAQGHJTUZRHGAC-ZZZDFHIKSA-N
204 HMDB0000806 228.20893014 229.21620654 227.20165374 "Myristic acid" C14H28O2 TUNFSRHWOTWDNC-UHFFFAOYSA-N 201 HMDB0000806 228.20893014 229.21620654 227.20165374 "Myristic acid" C14H28O2 TUNFSRHWOTWDNC-UHFFFAOYSA-N
205 HMDB0000812 175.048072403 176.055348803 174.040796003 "N-Acetyl-L-aspartic acid" C6H9NO5 OTCCIMWXFLJLIA-BYPYZUCNSA-N 202 HMDB0000812 175.048072403 176.055348803 174.040796003 "N-Acetyl-L-aspartic acid" C6H9NO5 OTCCIMWXFLJLIA-BYPYZUCNSA-N
206 HMDB0000819 183.089543287 184.096819687 182.082266887 Normetanephrine C9H13NO3 YNYAYWLBAHXHLL-UHFFFAOYSA-N 203 HMDB0000819 183.089543287 184.096819687 182.082266887 Normetanephrine C9H13NO3 YNYAYWLBAHXHLL-UHFFFAOYSA-N
207 HMDB0000824 217.131408101 218.138684501 216.124131701 Propionylcarnitine C10H19NO4 UFAHZIUFPNSHSL-UHFFFAOYSA-N 204 HMDB0000824 218.138684548 219.145960948 217.131408148 Propionylcarnitine C10H20NO4 UFAHZIUFPNSHSL-MRVPVSSYSA-O
208 HMDB0000827 284.271530396 285.278806796 283.264253996 "Stearic acid" C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N 205 HMDB0000827 284.271530396 285.278806796 283.264253996 "Stearic acid" C18H36O2 QIQXTHQIDYTFRH-UHFFFAOYSA-N
209 HMDB0000830 267.095416525 268.102692925 266.088140125 "Neuraminic acid" C9H17NO8 CERZMXAJYMMUDR-YOQZMRDMSA-N 206 HMDB0000830 267.095416525 268.102692925 266.088140125 "Neuraminic acid" C9H17NO8 CERZMXAJYMMUDR-YOQZMRDMSA-N
210 HMDB0000845 253.081103865 254.088380265 252.073827465 Neopterin C9H11N5O4 BMQYVXCPAOLZOK-UHFFFAOYSA-N 207 HMDB0000845 253.081103865 254.088380265 252.073827465 Neopterin C9H11N5O4 BMQYVXCPAOLZOK-UHFFFAOYSA-N
211 HMDB0000863 60.057514878 61.064791278 59.050238478 "Isopropyl alcohol" C3H8O KFZMGEQAYNKOFK-UHFFFAOYSA-N 208 HMDB0000863 60.057514878 61.064791278 59.050238478 "Isopropyl alcohol" C3H8O KFZMGEQAYNKOFK-UHFFFAOYSA-N
212 HMDB0000870 111.079647303 112.086923703 110.072370903 Histamine C5H9N3 NTYJJOPFIAHURM-UHFFFAOYSA-N 209 HMDB0000870 111.079647303 112.086923703 110.072370903 Histamine C5H9N3 NTYJJOPFIAHURM-UHFFFAOYSA-N
213 HMDB0000883 117.078978601 118.086255001 116.071702201 L-Valine C5H11NO2 KZSNJWFQEVHDMF-BYPYZUCNSA-N 210 HMDB0000883 117.078978601 118.086255001 116.071702201 L-Valine C5H11NO2 KZSNJWFQEVHDMF-BYPYZUCNSA-N
214 HMDB0000893 174.089208936 175.096485336 173.081932536 "Suberic acid" C8H14O4 TYFQFVWCELRYAO-UHFFFAOYSA-N 211 HMDB0000893 174.089208936 175.096485336 173.081932536 "Suberic acid" C8H14O4 TYFQFVWCELRYAO-UHFFFAOYSA-N
215 HMDB0000895 146.118103761 147.125380161 145.110827361 "Acetylcholine " C7H16NO2 OIPILFWXSMYKGL-UHFFFAOYSA-N 212 HMDB0000895 146.118103761 147.125380161 145.110827361 Acetylcholine C7H16NO2 OIPILFWXSMYKGL-UHFFFAOYSA-N
216 HMDB0000898 125.095297367 126.102573767 124.088020967 1-Methylhistamine C6H11N3 FHQDWPCFSJMNCT-UHFFFAOYSA-N 213 HMDB0000898 125.095297367 126.102573767 124.088020967 1-Methylhistamine C6H11N3 FHQDWPCFSJMNCT-UHFFFAOYSA-N
217 HMDB0000904 175.095691297 176.102967697 174.088414897 Citrulline C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N 214 HMDB0000904 175.095691297 176.102967697 174.088414897 Citrulline C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N
218 HMDB0000906 59.073499293 60.080775693 58.066222893 Trimethylamine C3H9N GETQZCLCWQTVFV-UHFFFAOYSA-N 215 HMDB0000906 59.073499293 60.080775693 58.066222893 Trimethylamine C3H9N GETQZCLCWQTVFV-UHFFFAOYSA-N
219 HMDB0000912 383.107712545 384.114988945 382.100436145 Succinyladenosine C14H17N5O8 VKGZCEJTCKHMRL-VWJPMABRSA-N 216 HMDB0000912 383.107712545 384.114988945 382.100436145 Succinyladenosine C14H17N5O8 VKGZCEJTCKHMRL-VWJPMABRSA-N
220 HMDB0000929 204.089877638 205.097154038 203.082601238 L-Tryptophan C11H12N2O2 QIVBCDIJIAJPQS-VIFPVBQESA-N 217 HMDB0000929 204.089877638 205.097154038 203.082601238 L-Tryptophan C11H12N2O2 QIVBCDIJIAJPQS-VIFPVBQESA-N
221 HMDB0000939 384.12158847 385.12886487 383.11431207 S-Adenosylhomocysteine C14H20N6O5S ZJUKTBDSGOFHSH-WFMPWKQPSA-N 218 HMDB0000939 384.12158847 385.12886487 383.11431207 S-Adenosylhomocysteine C14H20N6O5S ZJUKTBDSGOFHSH-WFMPWKQPSA-N
222 HMDB0000990 44.02621475 45.03349115 43.01893835 Acetaldehyde C2H4O IKHGUXGNUITLKF-UHFFFAOYSA-N 219 HMDB0000990 44.02621475 45.03349115 43.01893835 Acetaldehyde C2H4O IKHGUXGNUITLKF-UHFFFAOYSA-N
223 HMDB0000996 153.009578407 154.016854807 152.002302007 3-Sulfinoalanine C3H7NO4S WVMUCBHSEHBMKA-REOHCLBHSA-N 220 HMDB0000996 153.009578407 154.016854807 152.002302007 3-Sulfinoalanine C3H7NO4S ADVPTQAUNPRNPO-REOHCLBHSA-N
224 HMDB0001035 1045.534514801 1046.541791201 1044.527238401 "Angiotensin II" C50H71N13O12 CZGUSIXMZVURDU-JZXHSEFVSA-N 221 HMDB0001035 1045.534514801 1046.541791201 1044.527238401 "Angiotensin II" C50H71N13O12 CZGUSIXMZVURDU-JZXHSEFVSA-N
225 HMDB0001043 304.240230268 305.247506668 303.232953868 "Arachidonic acid" C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N 222 HMDB0001043 304.240230268 305.247506668 303.232953868 "Arachidonic acid" C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N
226 HMDB0001046 176.094963016 177.102239416 175.087686616 Cotinine C10H12N2O UIKROCXWUNQSPJ-UHFFFAOYSA-N 223 HMDB0001046 176.094963016 177.102239416 175.087686616 Cotinine C10H12N2O UIKROCXWUNQSPJ-UHFFFAOYSA-N
227 HMDB0001067 304.090665498 305.097941898 303.083389098 "N-Acetylaspartylglutamic acid" C11H16N2O8 OPVPGKGADVGKTG-UHFFFAOYSA-N 224 HMDB0001067 304.090665483 305.097941883 303.083389083 "N-Acetylaspartylglutamic acid" C11H16N2O8 OPVPGKGADVGKTG-BQBZGAKWSA-N
228 HMDB0001085 336.230059512 337.237335912 335.222783112 "Leukotriene B4" C20H32O4 VNYSSYRCGWBHLG-AMOLWHMGSA-N 225 HMDB0001085 336.230059512 337.237335912 335.222783112 "Leukotriene B4" C20H32O4 VNYSSYRCGWBHLG-AMOLWHMGSA-N
229 HMDB0001123 137.047678473 138.054954873 136.040402073 "2-Aminobenzoic acid" C7H7NO2 RWZYAGGXGHYGMB-UHFFFAOYSA-N 226 HMDB0001123 137.047678473 138.054954873 136.040402073 "2-Aminobenzoic acid" C7H7NO2 RWZYAGGXGHYGMB-UHFFFAOYSA-N
230 HMDB0001139 354.240624198 355.247900598 353.233347798 "Prostaglandin F2a" C20H34O5 PXGPLTODNUVGFL-UAAPODJFSA-N 227 HMDB0001139 354.240624198 355.247900598 353.233347798 "Prostaglandin F2a" C20H34O5 PXGPLTODNUVGFL-UAAPODJFSA-N
231 HMDB0001185 399.145063566 400.152339966 398.137787166 S-Adenosylmethionine C15H23N6O5S MEFKEPWMEQBLKI-AIRLBKTGSA-O 228 HMDB0001185 399.145063566 400.152339966 398.137787166 S-Adenosylmethionine C15H23N6O5S MEFKEPWMEQBLKI-AIRLBKTGSA-O
232 HMDB0001189 179.094628665 180.101905065 178.087352265 2(N)-Methyl-norsalsolinol C10H13NO2 WETXYFNVBDLWIW-UHFFFAOYSA-N 229 HMDB0001189 179.094628665 180.101905065 178.087352265 2(N)-Methyl-norsalsolinol C10H13NO2 WETXYFNVBDLWIW-UHFFFAOYSA-N
246 HMDB0001325 188.152477894 189.159754294 187.145201494 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 MXNRLFUSFKVQSK-QMMMGPOBSA-N 243 HMDB0001325 188.152477894 189.159754294 187.145201494 N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 MXNRLFUSFKVQSK-QMMMGPOBSA-N
247 HMDB0001327 84.911789341 85.919065741 83.904512941 Rubidium Rb NCCSSGKUIKYAJD-UHFFFAOYSA-N 244 HMDB0001327 84.911789341 85.919065741 83.904512941 Rubidium Rb NCCSSGKUIKYAJD-UHFFFAOYSA-N
248 HMDB0001333 54.938049636 55.945326036 53.930773236 Manganese Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N 245 HMDB0001333 54.938049636 55.945326036 53.930773236 Manganese Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N
249 HMDB0001336 168.042258744 169.049535144 167.034982344 "3,4-Dihydroxybenzeneacetic acid" C8H8O4 CFFZDZCDUFSOFZ-UHFFFAOYSA-N 246 HMDB0001336 168.042258744 169.049535144 167.034982344 "3,4-Dihydroxybenzeneacetic acid" C8H8O4 CFFZDZCDUFSOFZ-UHFFFAOYSA-N
250 HMDB0001341 427.029414749 428.036691149 426.022138349 ADP C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N 247 HMDB0001341 427.029414749 428.036691149 426.022138349 ADP C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N
251 HMDB0001348 731.606699942 732.613976342 730.599423542 SM(d18:1/18:0) C41H84N2O6P LKQLRGMMMAHREN-YJFXYUILSA-O 248 HMDB0001348 730.598875399 731.606151799 729.591598999 SM(d18:1/18:0) C41H83N2O6P LKQLRGMMMAHREN-YJFXYUILSA-N
252 HMDB0001349 79.916521828 80.923798228 78.909245428 Selenium Se MFSBVGSNNPNWMD-UHFFFAOYSA-N 249 HMDB0001349 79.916521828 80.923798228 78.909245428 Selenium Se MFSBVGSNNPNWMD-UHFFFAOYSA-N
253 HMDB0001355 291.033029765 292.040306165 290.025753365 Parathion C10H14NO5PS LCCNCVORNKJIRZ-UHFFFAOYSA-N 250 HMDB0001355 291.033029765 292.040306165 290.025753365 Parathion C10H14NO5PS LCCNCVORNKJIRZ-UHFFFAOYSA-N
254 HMDB0001372 425.044967696 426.052244096 424.037691296 "Thiamine pyrophosphate" C12H19N4O7P2S AYEKOFBPNLCAJY-UHFFFAOYSA-O 251 HMDB0001372 425.044967696 426.052244096 424.037691296 "Thiamine pyrophosphate" C12H19N4O7P2S AYEKOFBPNLCAJY-UHFFFAOYSA-O
255 HMDB0001389 232.121177766 233.128454166 231.113901366 Melatonin C13H16N2O2 DRLFMBDRBRZALE-UHFFFAOYSA-N 252 HMDB0001389 232.121177766 233.128454166 231.113901366 Melatonin C13H16N2O2 DRLFMBDRBRZALE-UHFFFAOYSA-N
256 HMDB0001396 459.186631567 460.193907967 458.179355167 "5-Methyltetrahydrofolic acid" C20H25N7O6 ZNOVTXRBGFNYRX-ZGTCLIOFSA-N 253 HMDB0001396 459.186631567 460.193907967 458.179355167 "5-Methyltetrahydrofolic acid" C20H25N7O6 ZNOVTXRBGFNYRX-ZGTCLIOFSA-N
266 HMDB0001475 89.904703679 90.911980079 88.897427279 Zirconium Zr GBNDTYKAOXLLID-UHFFFAOYSA-N 263 HMDB0001475 89.904703679 90.911980079 88.897427279 Zirconium Zr GBNDTYKAOXLLID-UHFFFAOYSA-N
267 HMDB0001478 71.949056008 72.956332408 70.941779608 Gallium GaH3 PHMDYZQXPPOZDG-UHFFFAOYSA-N 264 HMDB0001478 71.949056008 72.956332408 70.941779608 Gallium GaH3 PHMDYZQXPPOZDG-UHFFFAOYSA-N
268 HMDB0001488 123.032028409 124.039304809 122.024752009 "Nicotinic acid" C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 265 HMDB0001488 123.032028409 124.039304809 122.024752009 "Nicotinic acid" C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N
269 HMDB0001490 184.073558872 185.080835272 183.066282472 Vanylglycol C9H12O4 FBWPWWWZWKPJFL-UHFFFAOYSA-N 266 HMDB0001490 184.073558872 185.080835272 183.066282472 Vanylglycol C9H12O4 FBWPWWWZWKPJFL-UHFFFAOYSA-N
270 HMDB0001491 247.024573569 248.031849969 246.017297169 "Pyridoxal 5'-phosphate" C8H10NO6P NGVDGCNFYWLIFO-UHFFFAOYSA-N 267 HMDB0001491 247.024573569 248.031849969 246.017297169 "Pyridoxal 5'-phosphate" C8H10NO6P NGVDGCNFYWLIFO-UHFFFAOYSA-N
271 HMDB0001496 402.349780716 403.357057116 401.342504316 7a-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-AWBHSAGMSA-N 268 HMDB0001496 402.349780721 403.357057121 401.342504321 7alpha-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-RVOWOUOISA-N
272 HMDB0001509 352.224974134 353.232250534 351.217697734 "20-Hydroxy-leukotriene B4" C20H32O5 PTJFJXLGRSTECQ-PSPARDEHSA-N 269 HMDB0001509 352.224974134 353.232250534 351.217697734 "20-Hydroxy-leukotriene B4" C20H32O5 PTJFJXLGRSTECQ-PSPARDEHSA-N
273 HMDB0001522 73.063997239 74.071273639 72.056720839 Methylguanidine C2H7N3 CHJJGSNFBQVOTG-UHFFFAOYSA-N 270 HMDB0001522 73.063997239 74.071273639 72.056720839 Methylguanidine C2H7N3 CHJJGSNFBQVOTG-UHFFFAOYSA-N
274 HMDB0001539 202.14297584 203.15025224 201.13569944 "Asymmetric dimethylarginine" C8H18N4O2 YDGMGEXADBMOMJ-LURJTMIESA-N 271 HMDB0001539 202.14297584 203.15025224 201.13569944 "Asymmetric dimethylarginine" C8H18N4O2 YDGMGEXADBMOMJ-LURJTMIESA-N
275 HMDB0001545 167.058243159 168.065519559 166.050966759 Pyridoxal C8H9NO3 RADKZDMFGJYCBB-UHFFFAOYSA-N 272 HMDB0001545 167.058243159 168.065519559 166.050966759 Pyridoxal C8H9NO3 RADKZDMFGJYCBB-UHFFFAOYSA-N
276 HMDB0001565 184.073869485 185.081145885 183.066593085 Phosphorylcholine C5H15NO4P YHHSONZFOIEMCP-UHFFFAOYSA-O 273 HMDB0001565 184.073869485 185.081145885 183.066593085 Phosphorylcholine C5H15NO4P YHHSONZFOIEMCP-UHFFFAOYSA-O
277 HMDB0001644 150.05282343 151.06009983 149.04554703 D-Xylulose C5H10O5 ZAQJHHRNXZUBTE-WUJLRWPWSA-N 274 HMDB0001644 150.05282343 151.06009983 149.04554703 D-Xylulose C5H10O5 LQXVFWRQNMEDEE-MROZADKFSA-N
278 HMDB0001659 58.041864814 59.049141214 57.034588414 Acetone C3H6O CSCPPACGZOOCGX-UHFFFAOYSA-N 275 HMDB0001659 58.041864814 59.049141214 57.034588414 Acetone C3H6O CSCPPACGZOOCGX-UHFFFAOYSA-N
279 HMDB0001830 314.224580204 315.231856604 313.217303804 Progesterone C21H30O2 RJKFOVLPORLFTN-LEKSSAKUSA-N 276 HMDB0001830 314.224580204 315.231856604 313.217303804 Progesterone C21H30O2 RJKFOVLPORLFTN-LEKSSAKUSA-N
280 HMDB0001842 59.048347175 60.055623575 58.041070775 Guanidine CH5N3 ZRALSGWEFCBTJO-UHFFFAOYSA-N 277 HMDB0001842 59.048347175 60.055623575 58.041070775 Guanidine CH5N3 ZRALSGWEFCBTJO-UHFFFAOYSA-N
281 HMDB0001847 194.080375584 195.087651984 193.073099184 Caffeine C8H10N4O2 RYYVLZVUVIJVGH-UHFFFAOYSA-N 278 HMDB0001847 194.080375584 195.087651984 193.073099184 Caffeine C8H10N4O2 RYYVLZVUVIJVGH-UHFFFAOYSA-N
282 HMDB0001851 152.068473494 153.075749894 151.061197094 L-Arabitol C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 279 HMDB0001851 152.068473494 153.075749894 151.061197094 L-Arabitol C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N
283 HMDB0001855 177.078978601 178.086255001 176.071702201 5-Hydroxytryptophol C10H11NO2 KQROHCSYOGBQGJ-UHFFFAOYSA-N 280 HMDB0001855 177.078978601 178.086255001 176.071702201 5-Hydroxytryptophol C10H11NO2 KQROHCSYOGBQGJ-UHFFFAOYSA-N
284 HMDB0001859 151.063328537 152.070604937 150.056052137 Acetaminophen C8H9NO2 RZVAJINKPMORJF-UHFFFAOYSA-N 281 HMDB0001859 151.063328537 152.070604937 150.056052137 Acetaminophen C8H9NO2 RZVAJINKPMORJF-UHFFFAOYSA-N
285 HMDB0001860 180.06472552 181.07200192 179.05744912 Paraxanthine C7H8N4O2 QUNWUDVFRNGTCO-UHFFFAOYSA-N 282 HMDB0001860 180.06472552 181.07200192 179.05744912 Paraxanthine C7H8N4O2 QUNWUDVFRNGTCO-UHFFFAOYSA-N
286 HMDB0001873 88.0524295 89.0597059 87.0451531 "Isobutyric acid" C4H8O2 KQNPFQTWMSNSAP-UHFFFAOYSA-N 283 HMDB0001873 88.0524295 89.0597059 87.0451531 "Isobutyric acid" C4H8O2 KQNPFQTWMSNSAP-UHFFFAOYSA-N
287 HMDB0001875 32.02621475 33.03349115 31.01893835 Methanol CH4O OKKJLVBELUTLKV-UHFFFAOYSA-N 284 HMDB0001875 32.02621475 33.03349115 31.01893835 Methanol CH4O OKKJLVBELUTLKV-UHFFFAOYSA-N
288 HMDB0001881 76.0524295 77.0597059 75.0451531 "Propylene glycol" C3H8O2 DNIAPMSPPWPWGF-UHFFFAOYSA-N 285 HMDB0001881 76.0524295 77.0597059 75.0451531 "Propylene glycol" C3H8O2 DNIAPMSPPWPWGF-GSVOUGTGSA-N
289 HMDB0001889 180.06472552 181.07200192 179.05744912 Theophylline C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N 286 HMDB0001889 180.06472552 181.07200192 179.05744912 Theophylline C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N
290 HMDB0001893 430.381080844 431.388357244 429.373804444 alpha-Tocopherol C29H50O2 GVJHHUAWPYXKBD-IEOSBIPESA-N 287 HMDB0001893 430.381080844 431.388357244 429.373804444 alpha-Tocopherol C29H50O2 GVJHHUAWPYXKBD-IEOSBIPESA-N
291 HMDB0001896 191.094628665 192.101905065 190.087352265 5-Methoxytryptophol C11H13NO2 QLWKTGDEPLRFAT-UHFFFAOYSA-N 288 HMDB0001896 191.094628665 192.101905065 190.087352265 5-Methoxytryptophol C11H13NO2 QLWKTGDEPLRFAT-UHFFFAOYSA-N
292 HMDB0001897 1346.728146002 1347.735422402 1345.720869602 "Substance P" C63H98N18O13S ADNPLDHMAVUMIW-SGTHPBLKSA-N 289 HMDB0001897 1346.728146002 1347.735422402 1345.720869602 "Substance P" C63H98N18O13S ADNPLDHMAVUMIW-SGTHPBLKSA-N
293 HMDB0001904 226.05897144 227.06624784 225.05169504 3-Nitrotyrosine C9H10N2O5 FBTSQILOGYXGMD-LURJTMIESA-N 290 HMDB0001904 226.05897144 227.06624784 225.05169504 3-Nitrotyrosine C9H10N2O5 FBTSQILOGYXGMD-LURJTMIESA-N
294 HMDB0001920 271.193614427 272.200890827 270.186338027 Dextromethorphan C18H25NO MKXZASYAUGDDCJ-CGTJXYLNSA-N 291 HMDB0001920 271.193614427 272.200890827 270.186338027 Dextromethorphan C18H25NO MKXZASYAUGDDCJ-CGTJXYLNSA-N
295 HMDB0001925 206.13067982 207.13795622 205.12340342 Ibuprofen C13H18O2 HEFNNWSXXWATRW-UHFFFAOYSA-N 292 HMDB0001925 206.13067982 207.13795622 205.12340342 Ibuprofen C13H18O2 HEFNNWSXXWATRW-UHFFFAOYSA-N
296 HMDB0001929 361.143784348 362.151060748 360.136507948 Levofloxacin C18H20FN3O4 GSDSWSVVBLHKDQ-JTQLQIEISA-N 293 HMDB0001929 361.143784348 362.151060748 360.136507948 Levofloxacin C18H20FN3O4 GSDSWSVVBLHKDQ-JTQLQIEISA-N
297 HMDB0001959 231.158291553 232.165567953 230.151015153 Gamma-Aminobutyryl-lysine C10H21N3O3 OCBQYJFUZHJRIU-UHFFFAOYSA-N 294 HMDB0001959 231.158291548 232.165567948 230.151015148 gamma-Aminobutyryllysine C10H21N3O3 OCBQYJFUZHJRIU-QMMMGPOBSA-N
298 HMDB0001960 123.933496699 124.940773099 122.926220299 Tin H4Sn PXQLTWWGPFDWNT-UHFFFAOYSA-N 295 HMDB0001960 123.933496699 124.940773099 122.926220299 Tin H4Sn PXQLTWWGPFDWNT-UHFFFAOYSA-N
299 HMDB0001966 47.947947053 48.955223453 46.940670653 Titanium Ti LCKIEQZJEYYRIY-UHFFFAOYSA-N 296 HMDB0001966 47.947947053 48.955223453 46.940670653 Titanium Ti LCKIEQZJEYYRIY-UHFFFAOYSA-N
300 HMDB0001980 1055.431705989 1056.438982389 1054.424429589 Vasopressin C46H65N13O12S2 BJFIDCADFRDPIO-ZCCHBGLBSA-N 297 HMDB0001980 1055.431705989 1056.438982389 1054.424429589 Vasopressin C46H65N13O12S2 BJFIDCADFRDPIO-ZCCHBGLBSA-N
301 HMDB0001989 183.950932553 184.958208953 182.943656153 Tungsten W YFGRPIXHCIXTLM-UHFFFAOYSA-N 298 HMDB0001989 183.950932553 184.958208953 182.943656153 Tungsten W YFGRPIXHCIXTLM-UHFFFAOYSA-N
302 HMDB0002013 231.14705816 232.15433456 230.13978176 Butyrylcarnitine C11H21NO4 QWYFHHGCZUCMBN-SECBINFHSA-N 299 HMDB0002013 231.14705816 232.15433456 230.13978176 Butyrylcarnitine C11H21NO4 QWYFHHGCZUCMBN-SECBINFHSA-N
303 HMDB0002017 121.089149357 122.096425757 120.081872957 1-Phenylethylamine C8H11N RQEUFEKYXDPUSK-UHFFFAOYSA-N 300 HMDB0002017 121.089149357 122.096425757 120.081872957 1-Phenylethylamine C8H11N RQEUFEKYXDPUSK-UHFFFAOYSA-N
304 HMDB0002024 126.042927446 127.050203846 125.035651046 "Imidazoleacetic acid" C5H6N2O2 PRJKNHOMHKJCEJ-UHFFFAOYSA-N 301 HMDB0002024 126.042927446 127.050203846 125.035651046 "Imidazoleacetic acid" C5H6N2O2 PRJKNHOMHKJCEJ-UHFFFAOYSA-N
305 HMDB0002027 384.33921603 385.34649243 383.33193963 8-Dehydrocholesterol C27H44O VUKORTMHZDZZFR-BXAZICILSA-N 302 HMDB0002027 384.33921603 385.34649243 383.33193963 8-Dehydrocholesterol C27H44O VUKORTMHZDZZFR-BXAZICILSA-N
306 HMDB0002031 146.069142196 147.076418596 145.061865796 "Ureidoisobutyric acid" C5H10N2O3 PHENTZNALBMCQD-UHFFFAOYSA-N 303 HMDB0002031 146.069142196 147.076418596 145.061865796 "Ureidoisobutyric acid" C5H10N2O3 PHENTZNALBMCQD-VKHMYHEASA-N
307 HMDB0002032 167.044324429 168.051600829 166.037048029 8-Hydroxyguanine C5H5N5O2 CLGFIVUFZRGQRP-UHFFFAOYSA-N 304 HMDB0002032 167.044324429 168.051600829 166.037048029 8-Hydroxyguanine C5H5N5O2 CLGFIVUFZRGQRP-UHFFFAOYSA-N
308 HMDB0002038 160.121177766 161.128454166 159.113901366 N(6)-Methyllysine C7H16N2O2 PQNASZJZHFPQLE-LURJTMIESA-N 305 HMDB0002038 160.121177766 161.128454166 159.113901366 N(6)-Methyllysine C7H16N2O2 PQNASZJZHFPQLE-LURJTMIESA-N
309 HMDB0002044 299.086583173 300.093859573 298.079306773 8-Hydroxyguanosine C10H13N5O6 FPGSEBKFEJEOSA-UMMCILCDSA-N 306 HMDB0002044 299.086583173 300.093859573 298.079306773 8-Hydroxyguanosine C10H13N5O6 FPGSEBKFEJEOSA-UMMCILCDSA-N
310 HMDB0002061 "Hyaluronic acid" (C14H21NO11)nH2O LJKKEBYAXYCTNF-GIXQJHCPSA-N
311 HMDB0002100 299.282429433 300.289705833 298.275153033 Palmitoylethanolamide C18H37NO2 HXYVTAGFYLMHSO-UHFFFAOYSA-N 307 HMDB0002100 299.282429433 300.289705833 298.275153033 Palmitoylethanolamide C18H37NO2 HXYVTAGFYLMHSO-UHFFFAOYSA-N
312 HMDB0002103 402.349780716 403.357057116 401.342504316 27-Hydroxycholesterol C27H46O2 FYHRJWMENCALJY-YSQMORBQSA-N 308 HMDB0002103 402.349780716 403.357057116 401.342504316 27-Hydroxycholesterol C27H46O2 FYHRJWMENCALJY-YSQMORBQSA-N
313 HMDB0002111 18.010564686 19.017841086 17.003288286 Water H2O XLYOFNOQVPJJNP-UHFFFAOYSA-N 309 HMDB0002111 18.010564686 19.017841086 17.003288286 Water H2O XLYOFNOQVPJJNP-UHFFFAOYSA-N
314 HMDB0002151 78.013935504 79.021211904 77.006659104 "Dimethyl sulfoxide" C2H6OS IAZDPXIOMUYVGZ-UHFFFAOYSA-N 310 HMDB0002151 78.013935504 79.021211904 77.006659104 "Dimethyl sulfoxide" C2H6OS IAZDPXIOMUYVGZ-UHFFFAOYSA-N
315 HMDB0002174 1328.563777 1329.5710534 1327.5565006 Cobalamin C62H88CoN13O14P NSLAUEAQDBERRV-DSRCUDDDSA-L 311 HMDB0002174 1328.563777 1329.5710534 1327.5565006 Cobalamin C62H88CoN13O14P NSLAUEAQDBERRV-DSRCUDDDSA-L
329 HMDB0002387 9.012182135 10.019458535 8.004905735 Beryllium Be PWOSZCQLSAMRQW-UHFFFAOYSA-N 325 HMDB0002387 9.012182135 10.019458535 8.004905735 Beryllium Be PWOSZCQLSAMRQW-UHFFFAOYSA-N
330 HMDB0002457 57.935347922 58.942624322 56.928071522 Nickel Ni VEQPNABPJHWNSG-UHFFFAOYSA-N 326 HMDB0002457 57.935347922 58.942624322 56.928071522 Nickel Ni VEQPNABPJHWNSG-UHFFFAOYSA-N
331 HMDB0002500 78.918337647 79.925614047 77.911061247 Bromide Br CPELXLSAUQHCOX-UHFFFAOYSA-M 327 HMDB0002500 78.918337647 79.925614047 77.911061247 Bromide Br CPELXLSAUQHCOX-UHFFFAOYSA-M
332 HMDB0002503 50.943963675 51.951240075 49.936687275 Vanadium V KOKKJWHERHSKEB-UHFFFAOYSA-N 328 HMDB0002503 50.943963675 51.951240075 49.936687275 Vanadium V KOKKJWHERHSKEB-UHFFFAOYSA-N
333 HMDB0002659 106.90509302 107.91236942 105.89781662 Silver Ag FOIXSVOLVBLSDH-UHFFFAOYSA-N 329 HMDB0002659 106.90509302 107.91236942 105.89781662 Silver Ag FOIXSVOLVBLSDH-UHFFFAOYSA-N
334 HMDB0002666 344.070812254 345.078088654 343.063535854 "Thiamine monophosphate" C12H17N4O4PS HZSAJDVWZRBGIF-UHFFFAOYSA-N 330 HMDB0002666 345.078637286 346.085913686 344.071360886 "Thiamine monophosphate" C12H18N4O4PS HZSAJDVWZRBGIF-UHFFFAOYSA-O
335 HMDB0002712 164.068473494 165.075749894 163.061197094 1,5-Anhydrosorbitol C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N 331 HMDB0002712 164.068473494 165.075749894 163.061197094 1,5-Anhydrosorbitol C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N
336 HMDB0002786 47.000728281 48.008004681 45.993451881 Nitrite HNO2 IOVCWXUNBOPUCH-UHFFFAOYSA-N 332 HMDB0002786 47.000728281 48.008004681 45.993451881 Nitrite HNO2 IOVCWXUNBOPUCH-UHFFFAOYSA-N
337 HMDB0002820 140.05857751 141.06585391 139.05130111 "Methylimidazoleacetic acid" C6H8N2O2 ZHCKPJGJQOPTLB-UHFFFAOYSA-N 333 HMDB0002820 140.05857751 141.06585391 139.05130111 "Methylimidazoleacetic acid" C6H8N2O2 ZHCKPJGJQOPTLB-UHFFFAOYSA-N
338 HMDB0002825 180.06472552 181.07200192 179.05744912 Theobromine C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N 334 HMDB0002825 180.06472552 181.07200192 179.05744912 Theobromine C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N
339 HMDB0002865 1006.436457016 1007.443733416 1005.429180616 Oxytocin C43H66N12O12S2 XNOPRXBHLZRZKH-MQYCRUOZSA-N 335 HMDB0002865 1006.436457016 1007.443733416 1005.429180616 Oxytocin C43H66N12O12S2 XNOPRXBHLZRZKH-MQYCRUOZSA-N
340 HMDB0002878 61.987817871 62.995094271 60.980541471 Nitrate NO3 NHNBFGGVMKEFGY-UHFFFAOYSA-N 336 HMDB0002878 61.987817871 62.995094271 60.980541471 Nitrate NO3 NHNBFGGVMKEFGY-UHFFFAOYSA-N
341 HMDB0002886 370.23553882 371.24281522 369.22826242 "6-Keto-prostaglandin F1a" C20H34O6 KFGOFTHODYBSGM-ZUNNJUQCSA-N 337 HMDB0002886 370.23553882 371.24281522 369.22826242 "6-Keto-prostaglandin F1a" C20H34O6 KFGOFTHODYBSGM-ZUNNJUQCSA-N
342 HMDB0002917 152.068473494 153.075749894 151.061197094 D-Xylitol C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N 338 HMDB0002917 152.068473494 153.075749894 151.061197094 D-Xylitol C5H12O5 HEBKCHPVOIAQTA-SCDXWVJYSA-N
343 HMDB0002961 290.224580204 291.231856604 289.217303804 Dihydrotestosterone C19H30O2 NVKAWKQGWWIWPM-ABEVXSGRSA-N 339 HMDB0002961 290.224580204 291.231856604 289.217303804 Dihydrotestosterone C19H30O2 NVKAWKQGWWIWPM-ABEVXSGRSA-N
344 HMDB0002994 122.057908808 123.065185208 121.050632408 Erythritol C4H10O4 UNXHWFMMPAWVPI-ZXZARUISSA-N 340 HMDB0002994 122.057908808 123.065185208 121.050632408 Erythritol C4H10O4 UNXHWFMMPAWVPI-ZXZARUISSA-N
345 HMDB0003080 496.26070819 497.26798459 495.25343179 "Leukotriene D4" C25H40N2O6S YEESKJGWJFYOOK-IJHYULJSSA-N 341 HMDB0003080 496.26070819 497.26798459 495.25343179 "Leukotriene D4" C25H40N2O6S YEESKJGWJFYOOK-IJHYULJSSA-N
346 HMDB0003157 175.059305791 176.066582191 174.052029391 "Guanidinosuccinic acid" C5H9N3O4 VVHOUVWJCQOYGG-REOHCLBHSA-N 342 HMDB0003157 175.059305791 176.066582191 174.052029391 "Guanidinosuccinic acid" C5H9N3O4 VVHOUVWJCQOYGG-REOHCLBHSA-N
347 HMDB0003208 296.307915902 297.315192302 295.300639502 Thromboxane C20H40O RZWIIPASKMUIAC-VQTJNVASSA-N 343 HMDB0003208 296.307915902 297.315192302 295.300639502 Thromboxane C20H40O RZWIIPASKMUIAC-VQTJNVASSA-N
348 HMDB0003229 254.224580204 255.231856604 253.217303804 "Palmitoleic acid" C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N 344 HMDB0003229 254.224580204 255.231856604 253.217303804 "Palmitoleic acid" C16H30O2 SECPZKHBENQXJG-FPLPWBNLSA-N
349 HMDB0003252 370.23553882 371.24281522 369.22826242 "Thromboxane B2" C20H34O6 XNRNNGPBEPRNAR-JQBLCGNGSA-N 345 HMDB0003252 370.23553882 371.24281522 369.22826242 "Thromboxane B2" C20H34O6 XNRNNGPBEPRNAR-JQBLCGNGSA-N
350 HMDB0003332 264.030373428 265.037649828 263.023097028 "3-Methoxy-4-Hydroxyphenylglycol sulfate" C9H12O7S SBKADJXSGGTEPN-UHFFFAOYSA-N 346 HMDB0003332 264.030373428 265.037649828 263.023097028 "3-Methoxy-4-Hydroxyphenylglycol sulfate" C9H12O7S SBKADJXSGGTEPN-UHFFFAOYSA-N
351 HMDB0003337 612.151961898 613.159238298 611.144685498 "Oxidized glutathione" C20H32N6O12S2 YPZRWBKMTBYPTK-UHFFFAOYSA-N 347 HMDB0003337 612.151961898 613.159238298 611.144685498 "Oxidized glutathione" C20H32N6O12S2 YPZRWBKMTBYPTK-BJDJZHNGSA-N
352 HMDB0003366 58.041864814 59.049141214 57.034588414 Propanal C3H6O NBBJYMSMWIIQGU-UHFFFAOYSA-N 348 HMDB0003366 58.041864814 59.049141214 57.034588414 Propanal C3H6O NBBJYMSMWIIQGU-UHFFFAOYSA-N
353 HMDB0003378 29.997988627 31.005265027 28.990712227 "Nitric oxide" NO MWUXSHHQAYIFBG-UHFFFAOYSA-N 349 HMDB0003378 29.997988627 31.005265027 28.990712227 "Nitric oxide" NO MWUXSHHQAYIFBG-UHFFFAOYSA-N
354 HMDB0003379 257.909555916 258.916832316 256.902279516 Triphosphate H5O10P3 UNXRWKVEANCORM-UHFFFAOYSA-N 350 HMDB0003379 257.909555916 258.916832316 256.902279516 Triphosphate H5O10P3 UNXRWKVEANCORM-UHFFFAOYSA-N
355 HMDB0003406 105.042593095 106.049869495 104.035316695 D-Serine C3H7NO3 MTCFGRXMJLQNBG-UWTATZPHSA-N
356 HMDB0003464 145.085126611 146.092403011 144.077850211 "4-Guanidinobutanoic acid" C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N 351 HMDB0003464 145.085126611 146.092403011 144.077850211 "4-Guanidinobutanoic acid" C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N
357 HMDB0003625 201.970625604 202.977902004 200.963349204 Mercury Hg BQPIGGFYSBELGY-UHFFFAOYSA-N 352 HMDB0003625 201.970625604 202.977902004 200.963349204 Mercury Hg BQPIGGFYSBELGY-UHFFFAOYSA-N
358 HMDB0003626 193.110278729 194.117555129 192.103002329 (R)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-SSDOTTSWSA-N 353 HMDB0003626 193.110278729 194.117555129 192.103002329 (R)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-SSDOTTSWSA-N
359 HMDB0003638 113.903358121 114.910634521 112.896081721 Cadmium Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N 354 HMDB0003638 113.903358121 114.910634521 112.896081721 Cadmium Cd WLZRMCYVCSSEQC-UHFFFAOYSA-N
360 HMDB0003642 87.905614339 88.912890739 86.898337939 Strontium Sr PWYYWQHXAPXYMF-UHFFFAOYSA-N 355 HMDB0003642 87.905614339 88.912890739 86.898337939 Strontium Sr PWYYWQHXAPXYMF-UHFFFAOYSA-N
361 HMDB0003671 114.10446507 115.11174147 113.09718867 2-Heptanone C7H14O CATSNJVOTSVZJV-UHFFFAOYSA-N 356 HMDB0003671 114.10446507 115.11174147 113.09718867 2-Heptanone C7H14O CATSNJVOTSVZJV-UHFFFAOYSA-N
362 HMDB0003869 275.148120797 276.155397197 274.140844397 Epsilon-(gamma-Glutamyl)-lysine C11H21N3O5 JPKNLFVGUZRHOB-YUMQZZPRSA-N 357 HMDB0003869 275.148120797 276.155397197 274.140844397 epsilon-(gamma-Glutamyl)lysine C11H21N3O5 JPKNLFVGUZRHOB-YUMQZZPRSA-N
363 HMDB0003876 320.23514489 321.24242129 319.22786849 15(S)-HETE C20H32O3 JSFATNQSLKRBCI-VAEKSGALSA-N 358 HMDB0003876 320.23514489 321.24242129 319.22786849 15-HETE C20H32O3 JSFATNQSLKRBCI-VAEKSGALSA-N
364 HMDB0003892 193.110278729 194.117555129 192.103002329 (S)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-ZETCQYMHSA-N 359 HMDB0003892 193.110278729 194.117555129 192.103002329 (S)-N-Methylsalsolinol C11H15NO2 RKMGOUZXGHZLBJ-ZETCQYMHSA-N
365 HMDB0003933 378.20155335 379.20882975 377.19427695 Pentosidine C17H26N6O4 AYEKKSTZQYEZPU-RYUDHWBXSA-N 360 HMDB0003933 378.20155335 379.20882975 377.19427695 Pentosidine C17H26N6O4 AYEKKSTZQYEZPU-RYUDHWBXSA-N
366 HMDB0004063 197.105193351 198.112469751 196.097916951 Metanephrine C10H15NO3 JWJCTZKFYGDABJ-UHFFFAOYSA-N 361 HMDB0004063 197.105193351 198.112469751 196.097916951 Metanephrine C10H15NO3 JWJCTZKFYGDABJ-UHFFFAOYSA-N
367 HMDB0004080 347.282429433 348.289705833 346.275153033 Anandamide C22H37NO2 LGEQQWMQCRIYKG-DOFZRALJSA-N 362 HMDB0004080 347.282429433 348.289705833 346.275153033 Anandamide C22H37NO2 LGEQQWMQCRIYKG-DOFZRALJSA-N
368 HMDB0004085 298.28718046 299.29445686 297.27990406 "Tuberculostearic acid" C19H38O2 BEOUGZFCUMNGOU-UHFFFAOYSA-N 363 HMDB0004085 298.28718046 299.29445686 297.27990406 "Tuberculostearic acid" C19H38O2 BEOUGZFCUMNGOU-UHFFFAOYSA-N
380 HMDB0004362 156.115029756 157.122306156 155.107753356 4-Hydroxynonenal C9H16O2 JVJFIQYAHPMBBX-FNORWQNLSA-N 375 HMDB0004362 156.115029756 157.122306156 155.107753356 4-Hydroxynonenal C9H16O2 JVJFIQYAHPMBBX-FNORWQNLSA-N
381 HMDB0004620 216.122240398 217.129516798 215.114963998 N-a-Acetyl-L-arginine C8H16N4O3 SNEIUMQYRCDYCH-LURJTMIESA-N 376 HMDB0004620 216.122240398 217.129516798 215.114963998 N-a-Acetyl-L-arginine C8H16N4O3 SNEIUMQYRCDYCH-LURJTMIESA-N
382 HMDB0004628 207.97663585 208.98391225 206.96935945 Lead Pb RVPVRDXYQKGNMQ-UHFFFAOYSA-N 377 HMDB0004628 207.97663585 208.98391225 206.96935945 Lead Pb RVPVRDXYQKGNMQ-UHFFFAOYSA-N
383 HMDB0004645 336.073969576 337.081245976 335.066693176 S-Nitrosoglutathione C10H16N4O7S HYHSBSXUHZOYLX-WDSKDSINSA-N 378 HMDB0004645 336.073969576 337.081245976 335.066693176 S-Nitrosoglutathione C10H16N4O7S HYHSBSXUHZOYLX-WDSKDSINSA-N
384 HMDB0004659 280.31300128 281.32027768 279.30572488 8-Isoprostane C20H40 UKVVPDHLUHAJNZ-UXHICEINSA-N 379 HMDB0004659 280.31300128 281.32027768 279.30572488 8-Isoprostane C20H40 UKVVPDHLUHAJNZ-UXHICEINSA-N
385 HMDB0004666 378.277009704 379.284286104 377.269733304 2-Arachidonylglycerol C23H38O4 RCRCTBLIHCHWDZ-DOFZRALJSA-N 380 HMDB0004666 378.277009704 379.284286104 377.269733304 MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0) C23H38O4 RCRCTBLIHCHWDZ-DOFZRALJSA-N
386 HMDB0004667 296.23514489 297.24242129 295.22786849 "13S-hydroxyoctadecadienoic acid" C18H32O3 HNICUWMFWZBIFP-IRQZEAMPSA-N 381 HMDB0004667 296.23514489 297.24242129 295.22786849 13-HODE C18H32O3 HNICUWMFWZBIFP-IRQZEAMPSA-N
387 HMDB0004669 294.219494826 295.226771226 293.212218426 9-OxoODE C18H30O3 LUZSWWYKKLTDHU-ZJHFMPGASA-N 382 HMDB0004669 294.219494826 295.226771226 293.212218426 9-OxoODE C18H30O3 LUZSWWYKKLTDHU-ZJHFMPGASA-N
388 HMDB0004670 296.23514489 297.24242129 295.22786849 "Alpha-dimorphecolic acid" C18H32O3 NPDSHTNEKLQQIJ-UINYOVNOSA-N 383 HMDB0004670 296.23514489 297.24242129 295.22786849 "alpha-Dimorphecolic acid" C18H32O3 NPDSHTNEKLQQIJ-UINYOVNOSA-N
384 HMDB0004673 320.23514489 321.24242129 319.22786849 "11,12-Epoxyeicosatrienoic acid" C20H32O3 DXOYQVHGIODESM-LZXKBWHHSA-N
389 HMDB0004679 320.23514489 321.24242129 319.22786849 8-HETE C20H32O3 NLUNAYAEIJYXRB-VYOQERLCSA-N 385 HMDB0004679 320.23514489 321.24242129 319.22786849 8-HETE C20H32O3 NLUNAYAEIJYXRB-VYOQERLCSA-N
390 HMDB0004682 320.23514489 321.24242129 319.22786849 11(R)-HETE C20H32O3 GCZRCCHPLVMMJE-RSPKXIRXSA-N 386 HMDB0004682 320.23514489 321.24242129 319.22786849 11(R)-HETE C20H32O3 GCZRCCHPLVMMJE-RSPKXIRXSA-N
391 HMDB0004701 296.23514489 297.24242129 295.22786849 "9,10-Epoxyoctadecenoic acid" C18H32O3 FBUKMFOXMZRGRB-YFHOEESVSA-N 387 HMDB0004701 296.23514489 297.24242129 295.22786849 "9,10-Epoxyoctadecenoic acid" C18H32O3 FBUKMFOXMZRGRB-YFHOEESVSA-N
392 HMDB0004702 296.23514489 297.24242129 295.22786849 12,13-EpOME C18H32O3 CCPPLLJZDQAOHD-FLIBITNWSA-N 388 HMDB0004702 296.23514489 297.24242129 295.22786849 12,13-EpOME C18H32O3 CCPPLLJZDQAOHD-FLIBITNWSA-N
393 HMDB0004704 314.245709576 315.252985976 313.238433176 9,10-DHOME C18H34O4 XEBKSQSGNGRGDW-YFHOEESVSA-N 389 HMDB0004704 314.245709575 315.252985975 313.238433175 9,10-DHOME C18H34O4 XEBKSQSGNGRGDW-GJWDQICYSA-N
394 HMDB0004705 314.245709576 315.252985976 313.238433176 12,13-DHOME C18H34O4 CQSLTKIXAJTQGA-FLIBITNWSA-N 390 HMDB0004705 314.245709575 315.252985975 313.238433175 12,13-DHOME C18H34O4 CQSLTKIXAJTQGA-BTDPBSJTSA-N
395 HMDB0004710 330.240624198 331.247900598 329.233347798 9,10,13-TriHOME C18H34O5 NTVFQBIHLSPEGQ-SYMVGPSASA-N 391 HMDB0004710 330.240624198 331.247900598 329.233347798 9,10,13-TriHOME C18H34O5 NTVFQBIHLSPEGQ-SYMVGPSASA-N
396 HMDB0004983 94.008850126 95.016126526 93.001573726 "Dimethyl sulfone" C2H6O2S HHVIBTZHLRERCL-UHFFFAOYSA-N 392 HMDB0004983 94.008850126 95.016126526 93.001573726 "Dimethyl sulfone" C2H6O2S HHVIBTZHLRERCL-UHFFFAOYSA-N
397 HMDB0004988 140.05857751 141.06585391 139.05130111 "Pi-Methylimidazoleacetic acid" C6H8N2O2 UJCGYTCAMOHYCG-UHFFFAOYSA-N 393 HMDB0004988 140.05857751 141.06585391 139.05130111 "Pi-Methylimidazoleacetic acid" C6H8N2O2 UJCGYTCAMOHYCG-UHFFFAOYSA-N
398 HMDB0005021 383.166747749 384.174024149 382.159471349 Quetiapine C21H25N3O2S URKOMYMAXPYINW-UHFFFAOYSA-N 394 HMDB0005021 383.166747749 384.174024149 382.159471349 Quetiapine C21H25N3O2S URKOMYMAXPYINW-UHFFFAOYSA-N
399 HMDB0005199 179.094628665 180.101905065 178.087352265 (R)-Salsolinol C10H13NO2 IBRKLUSXDYATLG-UHFFFAOYSA-N 395 HMDB0005199 179.094628665 180.101905065 178.087352265 (R)-Salsolinol C10H13NO2 IBRKLUSXDYATLG-UHFFFAOYSA-N
401 HMDB0005949 7.016004049 8.023280449 6.008727649 Lithium Li HBBGRARXTFLTSG-UHFFFAOYSA-N 397 HMDB0005949 7.016004049 8.023280449 6.008727649 Lithium Li HBBGRARXTFLTSG-UHFFFAOYSA-N
402 HMDB0005994 100.088815006 101.096091406 99.081538606 Hexanal C6H12O JARKCYVAAOWBJS-UHFFFAOYSA-N 398 HMDB0005994 100.088815006 101.096091406 99.081538606 Hexanal C6H12O JARKCYVAAOWBJS-UHFFFAOYSA-N
403 HMDB0005998 320.23514489 321.24242129 319.22786849 "20-Hydroxyeicosatetraenoic acid" C20H32O3 NNDIXBJHNLFJJP-DTLRTWKJSA-N 399 HMDB0005998 320.23514489 321.24242129 319.22786849 "20-Hydroxyeicosatetraenoic acid" C20H32O3 NNDIXBJHNLFJJP-DTLRTWKJSA-N
404 HMDB0006059 366.204238692 367.211515092 365.196962292 "20-Carboxy-leukotriene B4" C20H30O6 SXWGPVJGNOLNHT-VFLUTPEKSA-N 400 HMDB0006059 366.204238692 367.211515092 365.196962292 "20-Carboxy-leukotriene B4" C20H30O6 SXWGPVJGNOLNHT-VFLUTPEKSA-N
405 HMDB0006088 180.063388116 181.070664516 179.056111716 scyllo-Inositol C6H12O6 CDAISMWEOUEBRE-CDRYSYESSA-N 401 HMDB0006088 180.063388116 181.070664516 179.056111716 scyllo-Inositol C6H12O6 CDAISMWEOUEBRE-CDRYSYESSA-N
406 HMDB0006111 320.23514489 321.24242129 319.22786849 12-HETE C20H32O3 ZNHVWPKMFKADKW-FYMOKONMSA-N 402 HMDB0006111 320.23514489 321.24242129 319.22786849 12-HETE C20H32O3 ZNHVWPKMFKADKW-LQWMCKPYSA-N
407 HMDB0006112 72.021129372 73.028405772 71.013852972 Malondialdehyde C3H4O2 WSMYVTOQOOLQHP-UHFFFAOYSA-N 403 HMDB0006112 72.021129372 73.028405772 71.013852972 Malondialdehyde C3H4O2 WSMYVTOQOOLQHP-UHFFFAOYSA-N
408 HMDB0006119 402.349780716 403.357057116 401.342504316 7b-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-KGZHIOMZSA-N 404 HMDB0006119 402.349780716 403.357057116 401.342504316 7beta-Hydroxycholesterol C27H46O2 OYXZMSRRJOYLLO-KGZHIOMZSA-N
409 HMDB0006478 86.073164942 87.080441342 85.065888542 Iso-Valeraldehyde C5H10O YGHRJJRRZDOVPD-UHFFFAOYSA-N 405 HMDB0006478 86.073164942 87.080441342 85.065888542 Isovaleraldehyde C5H10O YGHRJJRRZDOVPD-UHFFFAOYSA-N
410 HMDB0006483 133.037507717 134.044784117 132.030231317 "D-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-UWTATZPHSA-N 406 HMDB0006483 133.037507717 134.044784117 132.030231317 "D-Aspartic acid" C4H7NO4 CKLJMWTZIZZHCS-UWTATZPHSA-N
411 HMDB0006695 228.11100701 229.11828341 227.10373061 Prolylhydroxyproline C10H16N2O4 ONPXCLZMBSJLSP-CSMHCCOUSA-N 407 HMDB0006695 228.11100701 229.11828341 227.10373061 Prolylhydroxyproline C10H16N2O4 ONPXCLZMBSJLSP-CSMHCCOUSA-N
412 HMDB0006730 609.239454997 610.246731397 608.232178597 QYNAD C25H35N7O11 WKBAPRRMZYHPNB-BXBUPLCLSA-N 408 HMDB0006730 609.239454997 610.246731397 608.232178597 QYNAD C25H35N7O11 WKBAPRRMZYHPNB-BXBUPLCLSA-N
413 HMDB0010169 703.575399814 704.582676214 702.568123414 SM(d18:1/16:0) C39H80N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-O 409 HMDB0010169 702.567574782 703.574851182 701.560298382 SM(d18:1/16:0) C39H79N2O6P RWKUXQNLWDTSLO-GWQJGLRPSA-N
414 HMDB0010210 318.219494826 319.226771226 317.212218426 15-KETE C20H30O3 YGJTUEISKATQSM-USWFWKISSA-N 410 HMDB0010210 318.219494826 319.226771226 317.212218426 15-KETE C20H30O3 YGJTUEISKATQSM-USWFWKISSA-N
415 HMDB0010222 320.23514489 321.24242129 319.22786849 9-HETE C20H32O3 KATOYYZUTNAWSA-DLJQHUEDSA-N 411 HMDB0010222 320.23514489 321.24242129 319.22786849 9-HETE C20H32O3 KATOYYZUTNAWSA-DLJQHUEDSA-N
416 HMDB0010223 296.23514489 297.24242129 295.22786849 9-HODE C18H32O3 NPDSHTNEKLQQIJ-SIGMCMEVSA-N 412 HMDB0010384 523.363789599 524.371065999 522.356513199 LysoPC(18:0/0:0) C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N
417 HMDB0010384 523.363789599 524.371065999 522.356513199 LysoPC(18:0) C26H54NO7P IHNKQIMGVNPMTC-RUZDIDTESA-N 413 HMDB0010395 543.332489471 544.339765871 542.325213071 LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0) C28H50NO7P LAXQYRRMGGEGOH-JXRLJXCWSA-N
418 HMDB0010395 543.332489471 544.339765871 542.325213071 LysoPC(20:4(5Z,8Z,11Z,14Z)) C28H50NO7P LAXQYRRMGGEGOH-JXRLJXCWSA-N 414 HMDB0010396 543.332489471 544.339765871 542.325213071 LysoPC(20:4(8Z,11Z,14Z,17Z)/0:0) C28H50NO7P GOMVPVRDBLLHQC-VEJNOCSESA-N
419 HMDB0010396 543.332489471 544.339765871 542.325213071 LysoPC(20:4(8Z,11Z,14Z,17Z)) C28H50NO7P GOMVPVRDBLLHQC-VEJNOCSESA-N
420 HMDB0010409 320.23514489 321.24242129 319.22786849 11,12-EpETrE C20H32O3 DXOYQVHGIODESM-IQCOFVSKSA-N
421 HMDB0011134 320.23514489 321.24242129 319.22786849 5-HETE C20H32O3 KGIJOOYOSFUGPC-JGKLHWIESA-N 415 HMDB0011134 320.23514489 321.24242129 319.22786849 5-HETE C20H32O3 KGIJOOYOSFUGPC-JGKLHWIESA-N
422 HMDB0011620 125.929815379 126.937091779 124.922538979 Arsenite AsH3O3 GCPXMJHSNVMWNM-UHFFFAOYSA-N 416 HMDB0011620 125.929815379 126.937091779 124.922538979 Arsenite AsH3O3 GCPXMJHSNVMWNM-UHFFFAOYSA-N
423 HMDB0011697 815.700600326 816.707876726 814.693323926 SM(d18:1/24:0) C47H96N2O6P QEDPUVGSSDPBMD-XTAIVQBESA-O 417 HMDB0011697 814.692775785 815.700052185 813.685499385 SM(d18:1/24:0) C47H95N2O6P QEDPUVGSSDPBMD-XTAIVQBESA-N
424 HMDB0011698 843.731900454 844.739176854 842.724624054 SM(d18:1/26:0) C49H100N2O6P VRAWSAPVSSLIRI-MVUJCARGSA-O 418 HMDB0011698 842.724075914 843.731352314 841.716799514 SM(d18:1/26:0) C49H99N2O6P VRAWSAPVSSLIRI-MVUJCARGSA-N
425 HMDB0011738 275.111735291 276.119011691 274.104458891 N2-gamma-Glutamylglutamine C10H17N3O6 JBFYFLXEJFQWMU-WDSKDSINSA-N 419 HMDB0011738 275.111735291 276.119011691 274.104458891 N2-gamma-Glutamylglutamine C10H17N3O6 JBFYFLXEJFQWMU-WDSKDSINSA-N
426 HMDB0012100 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(11Z)) C41H81N2O6P FZMKZVXNTLAHFD-RTEXEOPXSA-N 420 HMDB0012100 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(11Z)) C41H81N2O6P FZMKZVXNTLAHFD-RTEXEOPXSA-N
427 HMDB0012101 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(9Z)) C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N 421 HMDB0012101 728.583224846 729.590501246 727.575948446 SM(d18:1/18:1(9Z)) C41H81N2O6P NBEADXWAAWCCDG-QDDWGVBQSA-N
428 HMDB0012107 812.67712523 813.68440163 811.66984883 SM(d18:1/24:1(15Z)) C47H93N2O6P WKZHECFHXLTOLJ-QYKFWSDSSA-N 422 HMDB0012107 812.67712523 813.68440163 811.66984883 SM(d18:1/24:1(15Z)) C47H93N2O6P WKZHECFHXLTOLJ-QYKFWSDSSA-N
429 HMDB0012895 1027.400405861 1028.407682261 1026.393129461 "Arginine vasopressin 1-8" C44H61N13O12S2 SXYIOPJBWYQZRQ-VMPYSSHJSA-N 423 HMDB0012895 1027.400405861 1028.407682261 1026.393129461 "Arginine vasopressin 1-8" C44H61N13O12S2 SXYIOPJBWYQZRQ-VMPYSSHJSA-N
430 HMDB0012935 1474.912295913 1475.919572313 1473.905019513 "Dynorphin A" C69H116N23O13 ZIHYAUCIMOSJIH-QGLXRRFISA-O 424 HMDB0012935 1474.912295913 1475.919572313 1473.905019513 "Dynorphin A" C69H116N23O13 ZIHYAUCIMOSJIH-QGLXRRFISA-O
431 HMDB0013072 1650.73230468 1651.73958108 1649.72502828 Somatostatin C77H106N18O19S2 KTEPWBJBSMMZIC-LJTSQLRWSA-N 425 HMDB0013072 1650.73230468 1651.73958108 1649.72502828 Somatostatin C77H106N18O19S2 KTEPWBJBSMMZIC-LJTSQLRWSA-N
432 HMDB0013122 507.368874977 508.376151377 506.361598577 LysoPC(P-18:0) C26H54NO6P WBOMIOWRFSPZMC-AYICAFKVSA-N 426 HMDB0013122 507.368874977 508.376151377 506.361598577 LysoPC(P-18:0/0:0) C26H54NO6P WBOMIOWRFSPZMC-AYICAFKVSA-N
433 HMDB0013125 233.126322723 234.133599123 232.119046323 Hydroxypropionylcarnitine C10H19NO5 QJGJXKFJFRSERW-QMMMGPOBSA-N 427 HMDB0013125 233.126322723 234.133599123 232.119046323 Hydroxypropionylcarnitine C10H19NO5 QJGJXKFJFRSERW-QMMMGPOBSA-N
434 HMDB0013128 246.169984677 247.177261077 245.162708277 Valerylcarnitine C12H24NO4 VSNFQQXVMPSASB-SNVBAGLBSA-O 428 HMDB0013128 246.169984677 247.177261077 245.162708277 Valerylcarnitine C12H24NO4 VSNFQQXVMPSASB-SNVBAGLBSA-O
435 HMDB0013461 840.708425358 841.715701758 839.701148958 SM(d18:1/26:1(17Z)) C49H97N2O6P YXEXWUZHFGYOHJ-UOJCCMJYSA-N 429 HMDB0013461 840.708425358 841.715701758 839.701148958 SM(d18:1/26:1(17Z)) C49H97N2O6P YXEXWUZHFGYOHJ-UOJCCMJYSA-N
436 HMDB0013462 688.515539212 689.522815612 687.508262812 SM(d18:0/14:1(9Z)(OH)) C37H73N2O7P ZNHNJXWKKQKMBU-POWUNZFVSA-N 430 HMDB0013462 688.515539212 689.522815612 687.508262812 SM(d18:0/14:1(9Z)(OH)) C37H73N2O7P ZNHNJXWKKQKMBU-POWUNZFVSA-N
437 HMDB0013463 716.54683934 717.55411574 715.53956294 SM(d18:0/16:1(9Z)(OH)) C39H77N2O7P LPHMSPONPQCKTL-FKUNDBCPSA-N 431 HMDB0013463 716.54683934 717.55411574 715.53956294 SM(d18:0/16:1(9Z)(OH)) C39H77N2O7P LPHMSPONPQCKTL-FKUNDBCPSA-N
444 HMDB0013668 101.904349503 102.911625903 100.897073103 Ruthenium Ru KJTLSVCANCCWHF-UHFFFAOYSA-N 438 HMDB0013668 101.904349503 102.911625903 100.897073103 Ruthenium Ru KJTLSVCANCCWHF-UHFFFAOYSA-N
445 HMDB0013669 132.90544687 133.91272327 131.89817047 Cesium Cs TVFDJXOCXUVLDH-UHFFFAOYSA-N 439 HMDB0013669 132.90544687 133.91272327 131.89817047 Cesium Cs TVFDJXOCXUVLDH-UHFFFAOYSA-N
446 HMDB0013670 105.903483087 106.910759487 104.896206687 Palladium Pd KDLHZDBZIXYQEI-UHFFFAOYSA-N 440 HMDB0013670 105.903483087 106.910759487 104.896206687 Palladium Pd KDLHZDBZIXYQEI-UHFFFAOYSA-N
447 HMDB0013671 194.964774449 195.972050849 193.957498049 Platinum Pt BASFCYQUMIYNBI-UHFFFAOYSA-N 441 HMDB0013671 194.964774449 195.972050849 193.957498049 Platinum Pt BASFCYQUMIYNBI-UHFFFAOYSA-N
448 HMDB0013672 139.905434035 140.912710435 138.898157635 Cerium Ce GWXLDORMOJMVQZ-UHFFFAOYSA-N 442 HMDB0013672 139.905434035 140.912710435 138.898157635 Cerium Ce GWXLDORMOJMVQZ-UHFFFAOYSA-N
449 HMDB0015532 63.929146578 64.936422978 62.921870178 Zinc Zn HCHKCACWOHOZIP-UHFFFAOYSA-N 443 HMDB0015532 63.929146578 64.936422978 62.921870178 Zinc Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N
450 HMDB0029147 275.111735279 276.119011679 274.104458879 N-gamma-Glutamylglutamine C10H17N3O6 FCWNOQOVMGNKNG-WDSKDSINSA-N 444 HMDB0029147 275.111735279 276.119011679 274.104458879 N-gamma-Glutamylglutamine C10H17N3O6 FCWNOQOVMGNKNG-WDSKDSINSA-N
451 HMDB0059655 148.037173366 149.044449766 147.029896966 2-Hydroxyglutarate C5H8O5 HWXBTNAVRSUOJR-UHFFFAOYSA-N 445 HMDB0059655 148.037173366 149.044449766 147.029896966 2-Hydroxyglutarate C5H8O5 HWXBTNAVRSUOJR-UHFFFAOYSA-N