PCIDB

KNApSAcK Metabolite C00009083

Metabolite

KNApSAcK Entry

id C00009083
Name [Catechin-(4alpha->6)]2-epicatechin
CAS RN 150134-45-5
Standard InChI InChI=1S/C45H38O18/c46-18-10-26(53)33-31(11-18)62-44(16-2-5-21(48)24(51)8-16)41(59)37(33)35-28(55)14-32-36(40(35)58)38(42(60)45(63-32)17-3-6-22(49)25(52)9-17)34-27(54)13-30-19(39(34)57)12-29(56)43(61-30)15-1-4-20(47)23(50)7-15/h1-11,13-14,29,37-38,41-60H,12H2/t29-,37+,38-,41-,42+,43-,44-,45-/m1/s1
Standard InChI (Main Layer) InChI=1S/C45H38O18/c46-18-10-26(53)33-31(11-18)62-44(16-2-5-21(48)24(51)8-16)41(59)37(33)35-28(55)14-32-36(40(35)58)38(42(60)45(63-32)17-3-6-22(49)25(52)9-17)34-27(54)13-30-19(39(34)57)12-29(56)43(61-30)15-1-4-20(47)23(50)7-15/h1-11,13-14,29,37-38,41-60H,12H2

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
Rosaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rosa cymosa 117261 Rosaceae rosids Viridiplantae