PCIDB

KNApSAcK Metabolite C00023784

Metabolite

KNApSAcK Entry

id C00023784
Name 15alpha-Hydroxytrametenolic acid / 3beta,15alpha-Dihydroxylanosta-8,24-dien-21-oic acid
CAS RN 19262-52-3
Standard InChI InChI=1S/C30H48O4/c1-18(2)9-8-10-19(26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h9,19,22-25,31-32H,8,10-17H2,1-7H3,(H,33,34)/t19-,22-,23+,24+,25+,28-,29-,30-/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H48O4/c1-18(2)9-8-10-19(26(33)34)22-17-25(32)30(7)21-11-12-23-27(3,4)24(31)14-15-28(23,5)20(21)13-16-29(22,30)6/h9,19,22-25,31-32H,8,10-17H2,1-7H3,(H,33,34)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 86

Link

ChEMBL

By standard InChI CHEMBL482587
By standard InChI Main Layer CHEMBL482587

KEGG

By LinkDB

CTD

By CAS RN