PCIDB

KNApSAcK Metabolite C00009073

Metabolite

KNApSAcK Entry

id C00009073
Name Procyanidin B8 / Catechin-(4alpha->6)-epicatechin
CAS RN 12798-60-6
Standard InChI InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26+,28+,29-,30-/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 16

Link

ChEMBL

By standard InChI CHEMBL451115
By standard InChI Main Layer CHEMBL506487 CHEMBL502984 CHEMBL451115

KEGG

By LinkDB

CTD

By CAS RN