PCIDB

KNApSAcK Metabolite C00031080

Metabolite

KNApSAcK Entry

id C00031080
Name Pregnadienolone-3-O-beta-D-chacotrioside
CAS RN 50773-43-8
Standard InChI InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 17

Link

ChEMBL

By standard InChI CHEMBL504581
By standard InChI Main Layer CHEMBL504581

KEGG

By LinkDB

CTD

By CAS RN