PCIDB

KNApSAcK Metabolite C00009244

Metabolite

KNApSAcK Entry

id C00009244
Name Epicatechin-(4beta->8)-catechin-(4alpha->8)-catechin-3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
CAS RN
Standard InChI InChI=1S/C52H44O21/c53-22-14-31(61)38-35(15-22)70-47(20-5-8-25(55)29(59)12-20)44(66)42(38)40-33(63)18-34(64)41-43(45(67)48(73-50(40)41)21-6-9-26(56)30(60)13-21)39-32(62)17-27(57)23-16-36(71-51(68)52(69)10-2-1-3-37(52)65)46(72-49(23)39)19-4-7-24(54)28(58)11-19/h2,4-15,17-18,36,42-48,53-64,66-67,69H,1,3,16H2/t36-,42+,43+,44+,45-,46+,47+,48+,52?/m0/s1
Standard InChI (Main Layer) InChI=1S/C52H44O21/c53-22-14-31(61)38-35(15-22)70-47(20-5-8-25(55)29(59)12-20)44(66)42(38)40-33(63)18-34(64)41-43(45(67)48(73-50(40)41)21-6-9-26(56)30(60)13-21)39-32(62)17-27(57)23-16-36(71-51(68)52(69)10-2-1-3-37(52)65)46(72-49(23)39)19-4-7-24(54)28(58)11-19/h2,4-15,17-18,36,42-48,53-64,66-67,69H,1,3,16H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 113

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Salicaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Salix sieboldiana 40685 Salicaceae rosids Viridiplantae