C_ID |
CAS ID |
Metabolite |
Molecular formula |
Mw | Organism |
C00000001 | 545-97-1 | Gibberellin A1 | C19H24O6 | 348.1572885 | Vitis vinifera |
C00000003 | 77-06-5 | Gibberellin A3 | C19H22O6 | 346.14163844 | Vitis vinifera |
C00000019 | 6980-44-5 | Gibberellin A19 | C20H26O6 | 362.17293856 | Vitis vinifera |
C00000100 | 87-51-4 | Indoleacetic acid | C10H9NO2 | 175.06332854 | Vitis vinifera |
C00000101 | 1912-33-0 | Methyl indole-3-acetate | C11H11NO2 | 189.0789786 | Vitis vinifera |
C00000152 | 7400-08-0 | p-Coumaric acid | C9H8O3 | 164.04734412 | Vitis vinifera |
C00000170 | 140-10-3 | Cinnamate | C9H8O2 | 148.0524295 | Vitis vinifera |
C00000856 | 99-96-7 | 4-hydroxybenzoic acid | C7H6O3 | 138.03169406 | Vitis vinifera |
C00000947 | 154-23-4 | Catechin | C15H14O6 | 290.07903818 | Vitis vinifera |
C00000956 | 490-46-0 | Epicatechin | C15H14O6 | 290.07903818 | Vitis vinifera |
C00000958 | 989-51-5 | Epigallocatechin gallate | C22H18O11 | 458.08491142 | Vitis vinifera |
C00001180 | 107-92-6 | Butanoic acid | C4H8O2 | 88.0524295 | Vitis vinifera |
C00001206 | 87-69-4 | Tartaric acid | C4H6O6 | 150.01643793 | Vitis vinifera |
C00001282 | 121007-17-8 | Eutypine | C12H10O3 | 202.06299419 | Vitis vinifera |
C00002374 | 7084-24-4 | Cyanidin-3-O-glucoside | C21H21O11+ | 449.10838652 | Vitis vinifera |
C00002644 | 120-80-9 | Pyrocatechin | C6H6O2 | 110.03677944 | Vitis vinifera |
C00002647 | 149-91-7 | Gallic acid | C7H6O5 | 170.0215233 | Vitis vinifera |
C00002648 | 490-79-9 | Gentisic acid | C7H6O4 | 154.02660868 | Vitis vinifera |
C00002776 | 530-59-6 | Sinapic acid | C11H12O5 | 224.06847349 | Vitis vinifera |
C00002896 | 27208-80-6 | (E)-Piceid | C20H22O8 | 390.13146768 | Vitis vinifera |
C00002897 | 22139-77-1 | Pinosylvin | C14H12O2 | 212.08372963 | Vitis vinifera |
C00002902 | 537-42-8 | Pterostilbene | C16H16O3 | 256.10994438 | Vitis vinifera |
C00002903 | 501-36-0 | Resveratrol | C14H12O3 | 228.07864425 | Vitis vinifera |
C00002905 | 62218-08-0 | (-)-epsilon-Viniferin | C28H22O6 | 454.14163844 | Vitis vinifera |
C00002935 | 29106-51-2 | Procyanidin B4 | C30H26O12 | 578.1424263 | Vitis vinifera |
C00003110 | 87-44-5 | beta-Caryophyllene | C15H24 | 204.18780077 | Vitis vinifera |
C00003726 | 76-78-8 | Nigakilactone D | C22H28O6 | 388.18858863 | Vitis vinifera |
C00005373 | 482-35-9 | Quercetin-3-O-glucoside | C21H20O12 | 464.09547611 | Vitis vinifera var.'Trebbiano'. |
C00005761 | 39986-90-8 | Laricitrin 3-glucoside | C22H22O13 | 494.10604079 | Vitis vinifera cv.Petit Verdot |
C00005779 | | Syringetin 3-glucuronide | C23H22O14 | 522.10095541 | Vitis vinifera cv. Petit Verdot |
C00006614 | 13306-05-3 | Cyanidin | C15H11O6+ | 287.05556308 | Vitis vinifera |
C00006630 | 18466-51-8 | Callistephin | C21H21O10 | 433.11347189 | Vitis vinifera |
C00006681 | 6906-39-4 | Oxycoccicyanin | C22H23O11+ | 463.12403658 | Vitis vinifera |
C00006688 | 132-37-6 | Peonin | C28H33O16 | 625.17686001 | Vitis vinifera |
C00006698 | 6906-38-3 | Myrtillin | C21H21O12 | 465.10330114 | Vitis vinifera |
C00006709 | 17670-06-3 | Delphin | C27H31O17 | 627.15612457 | Vitis vinifera |
C00006722 | 6988-81-4 | Petunidin 3-O-beta-D-glucopyranoside | C22H23O12 | 479.1189512 | Vitis vinifera |
C00006728 | 25846-73-5 | Petunin | C28H33O17 | 641.17177463 | Vitis vinifera |
C00006735 | 7228-78-6 | Oenin | C23H25O12 | 493.13460127 | Vitis vinifera |
C00006756 | | Pelargonidin 3-p-coumarylglucoside | C30H27O12 | 579.15025133 | Vitis vinifera |
C00006793 | 133080-31-6 | Cyanidin 3-(6''-acetylglucoside) | C23H23O12 | 491.1189512 | Vitis vinifera |
C00006800 | 56767-17-0 | Hyacinthin | C30H27O13 | 595.14516595 | Vitis vinifera |
C00006859 | 129016-22-4,122796-43-4,114017-67-3 | Peonidin 3-(6''-acetylglucoside) | C24H25O12 | 505.13460127 | Vitis vinifera |
C00006861 | 139973-96-9,71802-54-5,114128-01-7 | Peonidin 3-(6''-p-coumarylglucoside) | C31H29O13 | 609.16081601 | Vitis vinifera |
C00006862 | 164584-53-6,68795-38-0 | Peonidin 3-(6''-caffeylgucoside) | C31H29O14 | 625.15573064 | Vitis vinifera |
C00006865 | | Peonidin acetyl 3,5-diglucoside | C30H35O17 | 667.1874247 | Vitis vinifera |
C00006867 | 51939-65-2 | Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside | C37H39O18 | 771.21363945 | Vitis vinifera |
C00006876 | 129031-46-5,122711-00-6,66594-00-1 | Delphinidin 3-(6''-acetylglucoside) | C23H23O13 | 507.11386582 | Vitis vinifera |
C00006878 | 136031-08-8,51939-70-9 | Delphinidin 3-(6''-p-coumarylglucoside) | C30H27O14 | 611.14008057 | Vitis vinifera |
C00006879 | | Delphinidin 3-caffeylglucoside | C30H27O15 | 627.1349952 | Vitis vinifera |
C00006884 | 64615-55-0,136031-06-6 | Awobanin | C36H37O19 | 773.192904 | Vitis vinifera |
C00006894 | 122731-05-9,129016-21-3 | Petunidin 3-(6''-acetylglucoside) | C24H25O13 | 521.12951589 | Vitis vinifera |
C00006896 | 51939-69-6,71991-89-4 | Petunidin 3-(6''-p-coumarylglucoside) | C31H29O14 | 625.15573064 | Vitis vinifera |
C00006901 | 101072-66-6,114051-26-2,122798-00-9 | Malvidin 3-(6''-acetylglucoside) | C25H27O13 | 535.14516595 | Vitis vinifera |
C00006903 | 156577-22-9,158189-28-7 | Malvidin 3-(6''-p-coumarylglucoside) | C32H31O14 | 639.1713807 | Vitis vinifera |
C00006904 | 129016-23-5,68795-36-8 | Malvidin 3-(6''-p-caffeyglucoside) | C32H31O15 | 655.16629532 | Vitis vinifera |
C00006910 | 144940-56-7,51939-51-6 | Tibouchinin | C38H41O19 | 801.22420413 | Vitis vinifera |
C00006933 | 4197-97-1 | 2',4',6'-Trihydroxychalcone | C15H12O4 | 256.07355887 | Vitis vinifera |
C00007233 | 25515-46-2 | Naringenin chalcone | C15H12O5 | 272.06847349 | Vitis vinifera |
C00007260 | 524-14-1 | Malonyl-CoA | C24H38N7O19P3S | 853.11560229 | Vitis vinifera |
C00007280 | 30802-00-7 | p-Coumaroyl CoA | C30H42N7O18P3S | 913.15198779 | Vitis vinifera |
C00007364 | 148-03-8 | beta-Tocopherol | C28H48O2 | 416.36543078 | Vitis vinifera L. |
C00007365 | 7616-22-0 | gamma-Tocopherol | C28H48O2 | 416.36543078 | Vitis vinifera L. |
C00007366 | 59-02-9 | alpha-Tocopherol | C29H50O2 | 430.38108084 | Vitis vinifera L. |
C00008672 | 572-31-6 | Dihydrokaempferol-3-O-alpha-L-rhamnopyranoside | C21H22O10 | 434.12129692 | Vitis vinifera |
C00008703 | 29838-67-3 | Astilbin | C21H22O11 | 450.11621155 | Vitis vinifera |
C00008817 | 970-73-0 | Gallocatechin | C15H14O7 | 306.0739528 | Vitis vinifera var.'Trebbiano'. |
C00008866 | 1257-08-5 | (-)-Epicatechin 3-O-gallate | C22H18O10 | 442.0899968 | Vitis vinifera |
C00008882 | 5127-64-0 | Gallocatechin 3-O-gallate | C22H18O11 | 458.08491142 | Vitis vinifera |
C00009070 | 12798-58-2 | Procyanidin B6 | C30H26O12 | 578.1424263 | Vitis vinifera |
C00009071 | 23567-23-9 | Procyanidin B3 | C30H26O12 | 578.1424263 | Vitis vinifera |
C00009073 | 12798-60-6 | Procyanidin B8 | C30H26O12 | 578.1424263 | Vitis vinifera |
C00009074 | 12798-59-3 | Procyanidin B7 | C30H26O12 | 578.1424263 | Vitis vinifera |
C00009075 | 20315-25-7 | Procyanidin B1 | C30H26O12 | 578.1424263 | Vitis vinifera |
C00009076 | 12798-57-1 | Procyanidin B5 | C30H26O12 | 578.1424263 | Vitis vinifera |
C00009077 | 29106-49-8 | Procyanidin B2 | C30H26O12 | 578.1424263 | Vitis vinifera |
C00009086 | 82801-35-2 | Epicatechin-(4beta->6)-epicatechin-(4beta->8)-catechin | C45H38O18 | 866.20581441 | Vitis vinifera |
C00009087 | 101469-10-7 | Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin | C45H38O18 | 866.20581441 | Vitis vinifera |
C00009089 | 79763-28-3 | Arecatannin B1 | C45H38O18 | 866.20581441 | Vitis vinifera |
C00009090 | 88903-74-6 | Epicatechin-(4beta->8)-epicatechin-(4beta->6)-epicatechin | C45H38O18 | 866.20581441 | Vitis vinifera |
C00009097 | 79813-67-5 | Arecatamnin A1 | C45H38O18 | 866.20581441 | Vitis vinifera |
C00009098 | 65085-09-8 | Procyanidin C1 | C45H38O18 | 866.20581441 | Vitis vinifera |
C00009206 | 106533-59-9 | 3-O-Galloylepicatechin-(4beta->6)-catechin | C37H30O16 | 730.15338491 | Vitis vinifera |
C00009208 | 109280-47-9 | 3-O-Galloylepicatechin-(4beta->8)-epicatechin | C37H30O16 | 730.15338491 | Vitis vinifera |
C00009210 | 89064-33-5 | Catechin-(4alpha->8)-epicatechin-3-O-gallate | C37H30O16 | 730.15338491 | Vitis vinifera |
C00009211 | 79907-45-2 | 3-O-Galloylepicatechin-(4beta->8)-catechin | C37H30O16 | 730.15338491 | Vitis vinifera |
C00009212 | 73086-04-1 | Epicatechin-(4beta->8)-epicatechin-3-O-gallate | C37H30O16 | 730.15338491 | Vitis vinifera |
C00009213 | 79907-44-1 | 3,3'-Digalloylprocyanidin B2 | C44H34O20 | 882.16434353 | Vitis vinifera |
C00009224 | | [Epicatechin-(4beta-8)]2-epicatechin-3-O-gallate | C52H42O22 | 1018.21677303 | Vitis vinifera |
C00009225 | 134958-50-2 | Epicatechin-(4beta->8)-3-O-galloylepicatechin-(4beta->8)-catechin | C52H42O22 | 1018.21677303 | Vitis vinifera |
C00009228 | 106533-61-3 | Epicatechin-(4beta->8)-3-O-galloylepicatechin-(4beta->8)-epicatechin-3-O-gallate | C59H46O26 | 1170.22773165 | Vitis vinifera |
C00010310 | 73815-21-1 | 2,6-Dimethyl-7-octene-2,3,6-triol | C10H20O3 | 188.1412445 | Vitis vinifera |
C00011164 | 478083-83-9 | cis-Resveratrol-3,4'-O-beta-diglucoside | C26H32O13 | 552.18429111 | Vitis vinifera |
C00011186 | 388089-38-1 | Malvidin 3-glucoside-pyruvate | C26H25O14 | 561.12443051 | Vitis vinifera |
C00011187 | 388089-39-2 | Malvidin 3-glucoside-4-vinylphenol | C31H29O13 | 609.16081601 | Vitis vinifera |
C00011188 | 403982-47-8 | Malvidin 3-glucoside-4-vinylcatechol | C31H29O14 | 625.15573064 | Vitis vinifera |
C00011189 | 388089-40-5 | Malvidin 3-glucoside-4-vinylguaiacol | C32H31O14 | 639.1713807 | Vitis vinifera |
C00015693 | 62218-13-7 | (+)-alpha-Viniferin | C42H30O9 | 678.18898256 | Vitis vinifera |
C00015739 | 149418-37-1 | Ampelopsin D | C28H22O6 | 454.14163844 | Vitis vinifera |
C00015837 | 105037-88-5 | Pallidol | C28H22O6 | 454.14163844 | Vitis vinifera |
C00023753 | 516-79-0 | (24S)24-Methylcholesta-5,7-dien-3beta-ol | C28H46O | 398.35486609 | Vitis vinifera |
C00030477 | 26627-85-0 | Hexacosanal | C26H52O | 380.40181628 | Vitis vinifera var.sultana |
C00030506 | 108906-51-0 | Icariside B2 | C19H30O8 | 386.19406794 | Vitis vinifera |
C00030802 | 346616-70-4 | Myrsinionoside D | C19H36O7 | 376.2461035 | Vitis vinifera |
C00034185 | 36413-60-2 | Quinic acid | C7H12O6 | 192.06338812 | Vitis vinifera |
C00035044 | 1721-51-3 | alpha-Tocotrienol | C29H44O2 | 424.33413065 | Vitis vinifera L. |
C00035060 | 490-23-3 | beta-Tocotrienol | C28H42O2 | 410.31848058 | Vitis vinifera L. |
C00035101 | 14101-61-2 | gamma-Tocotrienol | C28H42O2 | 410.31848058 | Vitis vinifera L. |
C00037330 | 197446-77-8 | Isohopeaphenol | C56H42O12 | 906.26762681 | Vitis vinifera |
C00046353 | 681293-15-2 | delta-Viniferin | C28H22O6 | 454.14163844 | Vitis vinifera |
C00046784 | 78-79-5 | Isoprene | C5H8 | 68.06260026 | Vitis vinifera |
C00046879 | 204076-78-8 | Maximol A | C28H22O6 | 454.14163844 | Vitis vinifera |
C00048337 | 135820-80-3 | Blumenol C glucoside | C19H32O7 | 372.21480338 | Vitis vinifera |
C00049177 | 202346-63-2 | Ilicifolinoside A | C11H20O7 | 264.12090299 | Vitis vinifera |
C00050662 | 38521-88-9 | 24-Methylcholesta-5,7-dien-3beta-ol | C28H46O | 398.35486609 | Vitis vinifera |
C00052006 | 73-31-4 | Melatonin | C13H16N2O2 | 232.12117777 | Vitis vinifera |
C00052490 | 142449-89-6 | Vitisin A | C56H42O12 | 906.26762681 | Vitis vinifera |
C00054005 | 120163-17-9 | Acuminoside | C21H36O10 | 448.23084737 | Vitis vinifera |
C00054618 | 142173-08-8 | 4,5-Dihydrovomifoliol | C13H22O3 | 226.15689457 | Vitis vinifera |
C00054833 | 223591-26-2 | Amurensin H | C28H20O6 | 452.12598837 | Vitis vinifera 'Kyohou' |
C00055777 | 148766-36-3 | cis-Piceid | C20H22O8 | 390.13146768 | Vitis vinifera |
C00056357 | 1026666-46-5 | Laricitrin 3-glucuronide | C22H20O14 | 508.08530535 | Vitis vinifera cv. Petit Verdot |
C00056762 | 126176-78-1 | Icariside B8 | C19H32O8 | 388.209718 | Vitis vinifera |
C00056828 | 105088-18-4 | 2-Phenylethyl alpha-D-glucopyranoside | C14H20O6 | 284.12598837 | Vitis vinifera |
C00057090 | 14861-16-6 | 2-Phenylethyl galactopyranoside | C14H20O6 | 284.12598837 | Vitis vinifera |
C00057268 | 22725-64-0 | Octacosanal | C28H56O | 408.43311641 | Vitis vinifera |
C00057502 | 697743-99-0 | Portisin A | C42H39O18+ | 831.21363945 | Vitis vinifera |
C00057609 | 864655-44-7 | Portisin C | C40H35O17+ | 787.1874247 | Vitis vinifera |
C00057630 | 887254-97-9 | Portisin B | C51H45O20+ | 977.25041888 | Vitis vinifera |
C00057745 | 1022106-23-5 | Vitisinol E | C29H26O7 | 486.16785319 | Vitis vinifera |
C00057952 | 165883-77-2 | r-Viniferin | C56H42O12 | 906.26762681 | Vitis vinifera |
C00057975 | 180413-42-7 | Viniferal | C35H26O8 | 574.16276781 | Vitis vinifera |
C00057976 | 180580-73-8 | Vitisin C | C56H42O12 | 906.26762681 | Vitis vinifera |
C00058023 | 223558-40-5 | Vitisifuran B | C56H40O12 | 904.25197674 | Vitis vinifera 'Kyohou' |
C00058033 | 22725-63-9 | Triacontanal | C30H60O | 436.46441654 | Vitis vinifera |
C00058153 | 625096-18-6 | Viniferol D | C42H32O9 | 680.20463262 | Vitis vinifera 'Kyohou' |
C00058171 | 65416-59-3 | Vitispirane | C13H20O | 192.15141526 | Vitis vinifera |