PCIDB

KNApSAcK Metabolite C00009314

Metabolite

KNApSAcK Entry

id C00009314
Name 3-O-beta-D-Galactopyranosyl-ent-epicatechin-(2alpha->7,4alpha->8)-epicatechin
CAS RN 135048-84-9
Standard InChI InChI=1S/C36H34O17/c37-11-25-29(46)30(47)31(48)35(49-25)51-34-28-26-21(44)7-14(38)8-23(26)52-36(34,13-2-4-17(40)20(43)6-13)53-24-10-18(41)15-9-22(45)32(50-33(15)27(24)28)12-1-3-16(39)19(42)5-12/h1-8,10,22,25,28-32,34-35,37-48H,9,11H2/t22-,25?,28+,29+,30?,31?,32-,34+,35+,36-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H34O17/c37-11-25-29(46)30(47)31(48)35(49-25)51-34-28-26-21(44)7-14(38)8-23(26)52-36(34,13-2-4-17(40)20(43)6-13)53-24-10-18(41)15-9-22(45)32(50-33(15)27(24)28)12-1-3-16(39)19(42)5-12/h1-8,10,22,25,28-32,34-35,37-48H,9,11H2

Cluster

Phytochemical cluster
KCF-S cluster No. 341

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
Malvaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Theobroma cacao 3641 Malvaceae rosids Viridiplantae