PCIDB

KNApSAcK Metabolite C00009269

Metabolite

KNApSAcK Entry

id C00009269
Name Epiafzelechin-(2beta->7,4beta->8)-epiafzelechin-(4beta->8)-dryopteric acid
CAS RN 135308-95-1
Standard InChI InChI=1S/C47H38O18/c48-20-6-1-17(2-7-20)42-41(60)38(35-28(55)15-27(54)33-23(14-32(57)58)40(59)43(63-44(33)35)18-3-10-24(51)25(52)11-18)36-29(56)16-31-37(45(36)62-42)39-34-26(53)12-22(50)13-30(34)64-47(65-31,46(39)61)19-4-8-21(49)9-5-19/h1-13,15-16,23,38-43,46,48-56,59-61H,14H2,(H,57,58)/t23-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H38O18/c48-20-6-1-17(2-7-20)42-41(60)38(35-28(55)15-27(54)33-23(14-32(57)58)40(59)43(63-44(33)35)18-3-10-24(51)25(52)11-18)36-29(56)16-31-37(45(36)62-42)39-34-26(53)12-22(50)13-30(34)64-47(65-31,46(39)61)19-4-8-21(49)9-5-19/h1-13,15-16,23,38-43,46,48-56,59-61H,14H2,(H,57,58)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN