PCIDB

KNApSAcK Metabolite C00009221

Metabolite

KNApSAcK Entry

id C00009221
Name 3-O-Galloylepicatechin-(4beta->6)-3-O-galloylepicatechin-(4beta->8)-catechin
CAS RN 106548-99-6
Standard InChI InChI=1S/C59H46O26/c60-24-14-33(68)43-41(15-24)81-53(20-2-5-27(62)31(66)8-20)56(84-58(79)22-10-36(71)49(76)37(72)11-22)47(43)44-35(70)18-42-46(51(44)78)48(45-34(69)17-29(64)25-16-40(75)52(83-55(25)45)19-1-4-26(61)30(65)7-19)57(54(82-42)21-3-6-28(63)32(67)9-21)85-59(80)23-12-38(73)50(77)39(74)13-23/h1-15,17-18,40,47-48,52-54,56-57,60-78H,16H2/t40-,47+,48-,52+,53+,54+,56+,57+/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H46O26/c60-24-14-33(68)43-41(15-24)81-53(20-2-5-27(62)31(66)8-20)56(84-58(79)22-10-36(71)49(76)37(72)11-22)47(43)44-35(70)18-42-46(51(44)78)48(45-34(69)17-29(64)25-16-40(75)52(83-55(25)45)19-1-4-26(61)30(65)7-19)57(54(82-42)21-3-6-28(63)32(67)9-21)85-59(80)23-12-38(73)50(77)39(74)13-23/h1-15,17-18,40,47-48,52-54,56-57,60-78H,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
eudicotyledons 1

Family

family name count
Polygonaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rheum sp. 3620 Polygonaceae eudicotyledons Viridiplantae