PCIDB

KNApSAcK Metabolite C00009220

Metabolite

KNApSAcK Entry

id C00009220
Name [3-O-Galloylepicatechin-(4beta->6)]2-epicatechin-3-O-gallate
CAS RN 106548-98-5
Standard InChI InChI=1S/C66H50O30/c67-27-16-35(74)48-45(17-27)92-60(22-2-5-30(69)33(72)8-22)62(95-65(89)25-12-40(79)56(85)41(80)13-25)52(48)50-37(76)20-46-51(58(50)87)53(63(61(93-46)23-3-6-31(70)34(73)9-23)96-66(90)26-14-42(81)57(86)43(82)15-26)49-36(75)19-44-28(54(49)83)18-47(59(91-44)21-1-4-29(68)32(71)7-21)94-64(88)24-10-38(77)55(84)39(78)11-24/h1-17,19-20,47,52-53,59-63,67-87H,18H2/t47-,52-,53+,59-,60-,61-,62-,63-/m1/s1
Standard InChI (Main Layer) InChI=1S/C66H50O30/c67-27-16-35(74)48-45(17-27)92-60(22-2-5-30(69)33(72)8-22)62(95-65(89)25-12-40(79)56(85)41(80)13-25)52(48)50-37(76)20-46-51(58(50)87)53(63(61(93-46)23-3-6-31(70)34(73)9-23)96-66(90)26-14-42(81)57(86)43(82)15-26)49-36(75)19-44-28(54(49)83)18-47(59(91-44)21-1-4-29(68)32(71)7-21)94-64(88)24-10-38(77)55(84)39(78)11-24/h1-17,19-20,47,52-53,59-63,67-87H,18H2

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