PCIDB

KNApSAcK Metabolite C00019525

Metabolite

KNApSAcK Entry

id C00019525
Name Maniladiol / 3beta,16beta-Dihydroxyolean-12-ene
CAS RN 595-17-5
Standard InChI InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20?,21-,22?,23-,24-,27-,28-,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1977415

KEGG

By LinkDB

CTD

By CAS RN C068534