PCIDB

KNApSAcK Metabolite C00036544

Metabolite

KNApSAcK Entry

id C00036544
Name 3-Epikatonic acid
CAS RN 76035-62-6
Standard InChI InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,26+,27+,28-,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 13

Link

ChEMBL

By standard InChI CHEMBL463266
By standard InChI Main Layer CHEMBL490528 CHEMBL463266 CHEMBL482798 CHEMBL487933

KEGG

By LinkDB

CTD

By CAS RN