PCIDB

KNApSAcK Metabolite C00024346

Metabolite

KNApSAcK Entry

id C00024346
Name Raucaffricin / Raucaffricine / Vomilenine beta-D-glucoside / Vomilenine beta-D-glucopyranoside
CAS RN 31282-07-2
Standard InChI InChI=1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13?,16-,17-,18?,19?,20+,21?,22-,24+,25+,26-,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 5273

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C02074

CTD

By CAS RN