C_ID | CAS ID | Metabolite | Molecular formula | Mw |
---|---|---|---|---|
C00001584 | 7659-95-2 | Betanin Betacyanin | C24H26N2O13 | 550.14348893 |
C00001585 | 30513-63-4 | 2'-O-Glucosylbetanin Bougainvillein-r-I | C30H36N2O18 | 712.19631236 |
C00001593 | 15121-53-6 | Isobetanin | C24H26N2O13 | 550.14348893 |
C00001606 | 13798-16-8 | Prebetanin | C24H26N2O16S | 630.10030353 |
C00001984 | 708-18-9 | Tecostanin | C11H21NO | 183.1623143 |
C00002144 | 119116-85-7 | Buntanine | C20H21NO5 | 355.14197279 |
C00002507 | 550-79-8 | Afrormosin Afromosin Castanin 7-Hydroxy-6,4'-dimethoxyisoflavone | C17H14O5 | 298.08412356 |
C00002951 | 33390-42-0 | Gartanin | C23H24O6 | 396.1572885 |
C00003455 | 66583-55-9 | Montanin | C32H48O8 | 560.33491851 |
C00003456 | 68370-49-0 | Montanin A | C19H20O4 | 312.13615913 |
C00004875 | 114567-39-4 | Platanin | C16H12O6 | 300.06338812 |
C00004876 | 135905-59-8 | Platanin 3-methyl ether | C17H14O6 | 314.07903818 |
C00004879 | 97208-75-8 | Platanin 3,7-dimethyl ether | C18H16O6 | 328.09468824 |
C00004880 | 114567-38-3 | Isoplatanin | C16H12O6 | 300.06338812 |
C00006806 | 131189-50-9 | Alatanin 1 | C38H41O20 | 817.21911875 |
C00006807 | 138688-63-8 | Alatanin C | C38H41O20 | 817.21911875 |
C00006864 | 131189-51-0 | Alatanin 2 | C39H43O20 | 831.23476882 |
C00006900 | 69915-09-9 | Petanin Petunidin 3-O-[6-O-(4-O-(E)-p-coumaroyl-O-alpha-rhamnopyranosyl)-beta-glucopyranoside]-5-O-beta-glucopyranoside | C43H49O23 | 933.26646288 |
C00007774 | 5121-36-8 | Lusitanine | C12H20N2O | 208.15756328 |
C00009662 | 63343-93-1 | Neorautanin | C22H22O6 | 382.14163844 |
C00010529 | 91431-89-9 | Cistanin | C9H14O4 | 186.08920894 |
C00012158 | 99211-72-0 | Vernofultanin | C19H24O8 | 380.14711774 |
C00012159 | 99132-87-3 | Isovernofultanin | C19H24O8 | 380.14711774 |
C00020705 | 111455-72-2 | Ezomontanin | C17H20O7 | 336.12090299 |
C00020706 | 111455-73-3 | 11,13-Dihydroezomontanin | C17H22O7 | 338.13655306 |
C00021178 | 33627-28-0 | Britanin(-)- Britannin | C19H26O7 | 366.16785319 |
C00023529 | 81422-44-8 | Teucjaponin A Montanin F | C22H28O7 | 404.18350325 |
C00023534 | 67987-83-1 | Montanin C | C24H30O8 | 446.19406794 |
C00023549 | 107090-88-0 | Montanin G | C24H30O9 | 462.18898256 |
C00024582 | 57932-88-4 | Modestanine Deoxoapodine Demethoxyvandrikine Modestamine | C21H24N2O3 | 352.17869265 |
C00024602 | 109028-31-1 | Strictanine | C20H26N2O2 | 326.19942809 |
C00025229 | 18646-15-6 | Montanine Voacristine pseudoindoxyl Montanine(Tabernaemontana) | C22H28N2O5 | 400.19982202 |
C00025368 | 5121-37-9 | Dihydrolusitanine | C12H22N2O | 210.17321334 |
C00025418 | 7282-19-1 | Atanine Atanin | C15H17NO2 | 243.12592879 |
C00025675 | 2169-44-0 | (+)-N-Methyllaurotetanine 2-O-Methylboldine Lauroscholtzine N-Methyllaurotetanine | C20H23NO4 | 341.16270823 |
C00025859 | 2299-26-5 | Dregamine (-)-Dregamine 20-Epitabernemontanine | C21H26N2O3 | 354.19434271 |
C00026055 | 2134-98-7 | Tabernaemontanine (-)-Tabernaemontanine (-)-Tabernemontanine 20-Epidregamine Tabernaemontanin | C21H26N2O3 | 354.19434271 |
C00026465 | 22826-43-3 | N-Methylatanine 4-Methoxy-N-methyl-3-(3-methyl-2-butenyl)-2-quinolone | C16H19NO2 | 257.14157886 |
C00026623 | 175414-35-4 | Fellutanine A | C22H20N4O2 | 372.15862591 |
C00027405 | 72361-67-2 | Laetanine (+)-Laetanine | C18H19NO4 | 313.1314081 |
C00027409 | 128-76-7 | Laurotetanine (+)-Laurotetanine Laurotetanin | C19H21NO4 | 327.14705817 |
C00027521 | 169626-12-4 | Bargustanine | C29H34N2O7 | 522.23660146 |
C00028558 | 132074-88-5 | Malacitanine | C20H23NO5 | 357.15762285 |
C00028790 | 36506-69-1 | Pakistanine (+)-Pakistanine | C37H40N2O6 | 608.28863702 |
C00028856 | 160568-11-6 | Potanine | C24H39NO7 | 453.27265261 |
C00029236 | 96497-83-5 | Waziristanine | C37H40N2O6 | 608.28863702 |
C00029600 | 33390-41-9 | 8-Deoxygartanin 8-Desoxygartanin | C23H24O5 | 380.16237388 |
C00029992 | 172670-47-2 | Clemastanin A (-)-Clemastanin A | C25H32O11 | 508.19446187 |
C00030414 | 809237-88-5 | Gnetumontanin C | C25H22O7 | 434.13655306 |
C00030721 | 463342-39-4 | Mangostanin (-)-Mangostanin | C24H26O7 | 426.16785319 |
C00033578 | 1010069-79-0 | 6-Deoxy-7-demethylmangostanin (-)-6-Deoxy-7-demethylmangostanin | C23H24O6 | 396.1572885 |
C00034375 | 923571-31-7 | 2'-(5''-O-E-Sinapoylapiosyl)betanin | C40H44N2O21 | 888.24365649 |
C00034536 | 934825-24-8 | Hierapolitanin A (+)-Hierapolitanin A | C19H24O6 | 348.1572885 |
C00034537 | 934825-25-9 | Hierapolitanin B (+)-Hierapolitanin B | C21H26O8 | 406.16276781 |
C00034538 | 934825-26-0 | Hierapolitanin C (+)-Hierapolitanin C | C21H32O8 | 412.209718 |
C00034539 | 934825-27-1 | Hierapolitanin D (-)-Hierapolitanin D | C21H34O9 | 430.22028269 |
C00034776 | 463342-41-8 | 6-O-Methylmangostanin (+)-6-O-Methylmangostanin | C25H28O7 | 440.18350325 |
C00035345 | 104696-16-4 | Nobotanin B | C82H56O52 | 1872.17376215 |
C00035346 | 111692-75-2 | Nobotanin C | C116H80O74 | 2656.2496846 |
C00035347 | 104669-05-8 | Nobotanin F | C82H56O52 | 1872.17376215 |
C00035348 | 113900-92-8 | Nobotanin G | C68H50O44 | 1570.16749498 |
C00035349 | 113900-93-9 | Nobotanin H | C89H60O57 | 2040.17963539 |
C00035350 | 113900-94-0 | Nobotanin I | C89H58O56 | 2022.1690707 |
C00035351 | 238750-61-3 | Nobotanin L | C109H76O70 | 2504.23872599 |
C00035352 | 238753-08-7 | Nobotanin M | C102H74O66 | 2354.24341743 |
C00035353 | 238750-62-4 | Nobotanin N | C95H70O62 | 2202.23245882 |
C00035354 | 694440-74-9 | Nobotanin R | C68H50O44 | 1570.16749498 |
C00035704 | 104758-06-7 | Nobotanin D | C34H26O22 | 786.09157252 |
C00036147 | 68670-83-7 | Montanin D (-)-Montanin D | C20H26O6 | 362.17293856 |
C00038893 | 1041854-75-4 | Cyclomontanin A | C35H49N9O9 | 739.36532423 |
C00038894 | 1041854-76-5 | Cyclomontanin B | C34H49N9O10 | 743.36023885 |
C00038895 | 1041854-77-6 | Cyclomontanin C | C51H67N13O12 | 1053.5032147 |
C00038896 | 1041854-78-7 | Cyclomontanin D | C34H48N8O9 | 712.35442519 |
C00039055 | 243668-19-1 | Durantanin I (-)-Durantanin I | C58H94O27 | 1222.5982478 |
C00039056 | 244004-93-1 | Durantanin II (-)-Durantanin II | C63H102O31 | 1354.64050655 |
C00039057 | 213261-67-7 | Durantanin III (-)-Durantanin III | C58H94O27 | 1222.5982478 |
C00042384 | 68325-50-8 | Chestanin MP3 | C40H42O26 | 938.19643152 |
C00042651 | 27909-08-6 | Kotanin | C24H22O8 | 438.13146768 |
C00043445 | 153951-53-2 | Demethylkotanin | C23H20O8 | 424.11581762 |
C00046554 | 281655-15-0 | 12-epi-Montanin B | C19H24O5 | 332.16237388 |
C00046555 | 281213-26-1 | 12-epi-Montanin D | C20H26O6 | 362.17293856 |
C00046830 | 68370-48-9 | Montanin B (+)-Montanin B | C19H24O5 | 332.16237388 |
C00047006 | 287717-55-9 | Anmontanin A (+)-Anmontanin A | C35H62O7 | 594.44955433 |
C00047007 | 287717-56-0 | Anmontanin B (+)-Anmontanin B | C35H62O8 | 610.44446896 |
C00047008 | 287717-58-2 | Anmontanin C | C35H62O8 | 610.44446896 |
C00047042 | 175522-05-1 | Fellutanine B (-)-Fellutanine B | C27H28N4O2 | 440.22122617 |
C00047043 | 175414-33-2 | Fellutanine C (-)-Fellutanine C | C32H36N4O2 | 508.28382642 |
C00047044 | 175387-08-3 | Fellutanine D (-)-Fellutanine D | C32H36N4O3 | 524.27874104 |
C00049909 | 642-52-4 | (-)-Montanine | C17H19NO4 | 301.1314081 |
C00052627 | 340720-01-6 | 2-Decarboxybetanin | C23H26N2O11 | 506.15365969 |
C00055482 | 139610-21-2 | Alatanin A | C67H81O39 | 1509.43549785 |
C00055483 | 139610-20-1 | Alatanin B | C61H71O34 | 1347.38267442 |
C00056518 | 115356-01-9 | Isochestanin | C40H42O26 | 938.19643152 |
C00056610 | 1198362-81-0 | N-Methoxycarbonyllaurotetanine | C21H23NO6 | 385.15253747 |
C00057361 | 35214-74-5 | Pinnatanine | C10H16N2O5 | 244.10592164 |
C00057498 | 67771-96-4 | Neocretanin | C20H20O13 | 468.09039073 |
C00057514 | 71199-29-6 | Neobetanin | C24H24N2O13 | 548.12783887 |
C00057825 | 1207186-96-6 | Squamostanin A | C37H66O8 | 638.47576908 |
C00057826 | 1207186-97-7 | Squamostanin B | C37H66O8 | 638.47576908 |
C00057836 | 1248334-27-1 | Squamostanin C | C37H66O8 | 638.47576908 |
C00057837 | 1248334-28-2 | Squamostanin D | C37H66O8 | 638.47576908 |
C00058419 | 112747-98-5 | Clemastanin B | C32H44O16 | 684.26293536 |
C00059560 | 1286196-07-3 | 2,15,17-Tridecarboxy-2,3-dehydroneobetanin | C21H22N2O7 | 414.14270107 |
C00059562 | 1286196-09-5 | 2,17-Bidecarboxy-2,3-dehydroneobetanin | C22H22N2O9 | 458.13253032 |
C00059563 | 1286196-10-8 | 6'-O-Feruloyl-2'-O-glucosylbetanin | C40H44N2O21 | 888.24365649 |
C00059564 | 1286196-11-9 | 6'-O-Feruloyl-2'-O-glucosylisobetanin | C40H44N2O21 | 888.24365649 |
C00059565 | 1286196-12-0 | 2-Decarboxy-2,3-dehydroneobetanin | C23H22N2O11 | 502.12235956 |
C00059566 | 1286196-13-1 | 6'-O-Feruloylbetanin | C34H34N2O16 | 726.19083306 |
C00059786 | 13798-44-2 | Isoprebetanin | C24H26N2O16S | 630.10030353 |
C00061242 | 28146-90-9 | 2'-O-Glucosylisobetanin | C30H36N2O18 | 712.19631236 |
C00062663 | 676320-08-4 | 17-Decarboxybetanin | C23H26N2O11 | 506.15365969 |
C00062998 | 783305-28-2 | 17-Decarboxyisobetanin | C23H26N2O11 | 506.15365969 |
C00063148 | 852290-43-8 | 2-Decarboxyisobetanin | C23H26N2O11 | 506.15365969 |
C00063149 | 852290-49-4 | 17-Decarboxyneobetanin | C23H24N2O11 | 504.13800963 |
C00063150 | 852290-55-2 | 2,17-Bidecarboxyneobetanin | C22H24N2O9 | 460.14818038 |
C00063151 | 852290-56-3 | 2-Decarboxyneobetanin | C23H24N2O11 | 504.13800963 |