PCIDB

KNApSAcK Metabolite C00009239

Metabolite

KNApSAcK Entry

id C00009239
Name 3-O-Galloylepigallocatechin-(4beta->8)-epigallocatechin-3-O-gallate
CAS RN 86588-89-8
Standard InChI InChI=1S/C44H34O22/c45-17-9-20(47)32-30(10-17)63-40(14-3-24(51)36(58)25(52)4-14)42(66-44(62)16-7-28(55)38(60)29(56)8-16)34(32)33-21(48)12-19(46)18-11-31(64-43(61)15-5-26(53)37(59)27(54)6-15)39(65-41(18)33)13-1-22(49)35(57)23(50)2-13/h1-10,12,31,34,39-40,42,45-60H,11H2/t31-,34-,39-,40-,42-/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H34O22/c45-17-9-20(47)32-30(10-17)63-40(14-3-24(51)36(58)25(52)4-14)42(66-44(62)16-7-28(55)38(60)29(56)8-16)34(32)33-21(48)12-19(46)18-11-31(64-43(61)15-5-26(53)37(59)27(54)6-15)39(65-41(18)33)13-1-22(49)35(57)23(50)2-13/h1-10,12,31,34,39-40,42,45-60H,11H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 29

Link

ChEMBL

By standard InChI CHEMBL422711
By standard InChI Main Layer CHEMBL422711

KEGG

By LinkDB

CTD

By CAS RN