PCIDB

KNApSAcK Metabolite C00029859

Metabolite

KNApSAcK Entry

id C00029859
Name Bryonolic acid
CAS RN 24480-45-3
Standard InChI InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27-,28+,29+,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL482596 CHEMBL1982562

KEGG

By LinkDB

CTD

By CAS RN C074984