PCIDB

KNApSAcK Metabolite C00009103

Metabolite

KNApSAcK Entry

id C00009103
Name Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin-(4beta->6)-epicatechin
CAS RN 126671-46-3
Standard InChI InChI=1S/C60H50O24/c61-23-13-33(70)42-40(14-23)82-57(20-2-6-26(63)30(67)10-20)53(78)48(42)44-37(74)18-41-47(52(44)77)50(55(80)58(83-41)21-3-7-27(64)31(68)11-21)46-35(72)16-34(71)45-49(54(79)59(84-60(45)46)22-4-8-28(65)32(69)12-22)43-36(73)17-39-24(51(43)76)15-38(75)56(81-39)19-1-5-25(62)29(66)9-19/h1-14,16-18,38,48-50,53-59,61-80H,15H2/t38-,48-,49+,50+,53-,54-,55-,56-,57-,58-,59-/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H50O24/c61-23-13-33(70)42-40(14-23)82-57(20-2-6-26(63)30(67)10-20)53(78)48(42)44-37(74)18-41-47(52(44)77)50(55(80)58(83-41)21-3-7-27(64)31(68)11-21)46-35(72)16-34(71)45-49(54(79)59(84-60(45)46)22-4-8-28(65)32(69)12-22)43-36(73)17-39-24(51(43)76)15-38(75)56(81-39)19-1-5-25(62)29(66)9-19/h1-14,16-18,38,48-50,53-59,61-80H,15H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 113

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN