PCIDB

KNApSAcK Metabolite C00009237

Metabolite

KNApSAcK Entry

id C00009237
Name Gallocatechin-(4alpha->8)-epigallocatechin-3-O-gallate
CAS RN 126786-49-0
Standard InChI InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29+,33+,34-,35-/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 29

Link

ChEMBL

By standard InChI CHEMBL348912
By standard InChI Main Layer CHEMBL348912 CHEMBL161077

KEGG

By LinkDB

CTD

By CAS RN