PCIDB

KNApSAcK Metabolite C00009104

Metabolite

KNApSAcK Entry

id C00009104
Name Catechin-(4alpha->6)-[epicatechin-(4beta->8)]2-epicatechin
CAS RN 99274-68-7
Standard InChI InChI=1S/C60H50O24/c61-23-13-34(71)42-40(14-23)81-56(20-2-6-26(63)31(68)10-20)52(78)48(42)43-38(75)18-41-47(51(43)77)50(54(80)57(82-41)21-3-7-27(64)32(69)11-21)46-37(74)17-36(73)45-49(53(79)58(84-60(45)46)22-4-8-28(65)33(70)12-22)44-35(72)16-29(66)24-15-39(76)55(83-59(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-50,52-58,61-80H,15H2/t39-,48+,49+,50+,52+,53-,54-,55-,56-,57-,58-/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H50O24/c61-23-13-34(71)42-40(14-23)81-56(20-2-6-26(63)31(68)10-20)52(78)48(42)43-38(75)18-41-47(51(43)77)50(54(80)57(82-41)21-3-7-27(64)32(69)11-21)46-37(74)17-36(73)45-49(53(79)58(84-60(45)46)22-4-8-28(65)33(70)12-22)44-35(72)16-29(66)24-15-39(76)55(83-59(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,39,48-50,52-58,61-80H,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
Liliopsida 1

Family

family name count
Dioscoreaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Dioscorea cirrhosa 323663 Dioscoreaceae Liliopsida Viridiplantae