PCIDB

KNApSAcK Metabolite C00009283

Metabolite

KNApSAcK Entry

id C00009283
Name Epicatechin-(2beta->7,4beta->8)-epiafzelechin-(4beta->8)-epiafzelechin
CAS RN 130918-26-2
Standard InChI InChI=1S/C45H36O16/c46-20-6-1-17(2-7-20)40-30(55)14-23-25(50)15-28(53)34(42(23)58-40)37-35-29(54)16-32-36(43(35)59-41(39(37)56)18-3-8-21(47)9-4-18)38-33-27(52)12-22(48)13-31(33)60-45(61-32,44(38)57)19-5-10-24(49)26(51)11-19/h1-13,15-16,30,37-41,44,46-57H,14H2/t30-,37+,38-,39-,40-,41-,44-,45?/m1/s1
Standard InChI (Main Layer) InChI=1S/C45H36O16/c46-20-6-1-17(2-7-20)40-30(55)14-23-25(50)15-28(53)34(42(23)58-40)37-35-29(54)16-32-36(43(35)59-41(39(37)56)18-3-8-21(47)9-4-18)38-33-27(52)12-22(48)13-31(33)60-45(61-32,44(38)57)19-5-10-24(49)26(51)11-19/h1-13,15-16,30,37-41,44,46-57H,14H2

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
Euphyllophyta 1

Family

family name count
Gleicheniaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Dicranopteris pedata 397678 Gleicheniaceae Euphyllophyta Viridiplantae