PCIDB

KNApSAcK Metabolite C00009116

Metabolite

KNApSAcK Entry

id C00009116
Name Prodelphinidin B3 / Gallocatechin-(4alpha->8)-gallocatechin
CAS RN 110115-59-8
Standard InChI InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24-,27-,28+,29+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL349509 CHEMBL161013

KEGG

By LinkDB

CTD

By CAS RN