PCIDB

KNApSAcK Metabolite C00009233

Metabolite

KNApSAcK Entry

id C00009233
Name 3-O-Galloylepigallocatechin-(4beta->6)-gallocatechin
CAS RN 152100-00-0
Standard InChI InChI=1S/C37H30O18/c38-14-7-16(39)27-26(8-14)54-35(12-3-20(43)32(50)21(44)4-12)36(55-37(52)13-5-22(45)33(51)23(46)6-13)29(27)28-17(40)10-25-15(30(28)48)9-24(47)34(53-25)11-1-18(41)31(49)19(42)2-11/h1-8,10,24,29,34-36,38-51H,9H2/t24-,29+,34+,35?,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H30O18/c38-14-7-16(39)27-26(8-14)54-35(12-3-20(43)32(50)21(44)4-12)36(55-37(52)13-5-22(45)33(51)23(46)6-13)29(27)28-17(40)10-25-15(30(28)48)9-24(47)34(53-25)11-1-18(41)31(49)19(42)2-11/h1-8,10,24,29,34-36,38-51H,9H2

Cluster

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

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
Cistaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cistus incanus 393199 Cistaceae rosids Viridiplantae