PCIDB

KNApSAcK Metabolite C00009302

Metabolite

KNApSAcK Entry

id C00009302
Name Epicatechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin-(4beta->6)-catechin
CAS RN 114637-80-8
Standard InChI InChI=1S/C60H48O24/c61-23-13-33(70)42-40(14-23)83-60(22-4-8-28(65)32(69)12-22)59(79)50(42)47-41(84-60)18-37(74)46-49(53(78)56(82-58(46)47)21-3-7-27(64)31(68)11-21)45-35(72)16-34(71)44-48(52(77)55(81-57(44)45)20-2-6-26(63)30(67)10-20)43-36(73)17-39-24(51(43)76)15-38(75)54(80-39)19-1-5-25(62)29(66)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48-,49-,50+,52+,53+,54+,55+,56+,59+,60-/m0/s1
Standard InChI (Main Layer) InChI=1S/C60H48O24/c61-23-13-33(70)42-40(14-23)83-60(22-4-8-28(65)32(69)12-22)59(79)50(42)47-41(84-60)18-37(74)46-49(53(78)56(82-58(46)47)21-3-7-27(64)31(68)11-21)45-35(72)16-34(71)44-48(52(77)55(81-57(44)45)20-2-6-26(63)30(67)10-20)43-36(73)17-39-24(51(43)76)15-38(75)54(80-39)19-1-5-25(62)29(66)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2

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
asterids 1

Family

family name count
Ericaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Vaccinium vitis-idaea 180772 Ericaceae asterids Viridiplantae