PCIDB

KNApSAcK Metabolite C00041246

Metabolite

KNApSAcK Entry

id C00041246
Name 15beta-Hydroxycalotropin
CAS RN 152270-96-7
Standard InChI InChI=1S/C29H40O10/c1-14-7-23(32)29(35)25(37-14)38-20-9-16-3-4-18-17(27(16,13-30)11-21(20)39-29)5-6-26(2)19(10-22(31)28(18,26)34)15-8-24(33)36-12-15/h8,13-14,16-23,25,31-32,34-35H,3-7,9-12H2,1-2H3/t14-,16+,17+,18-,19-,20-,21-,22-,23+,25+,26-,27-,28-,29+/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H40O10/c1-14-7-23(32)29(35)25(37-14)38-20-9-16-3-4-18-17(27(16,13-30)11-21(20)39-29)5-6-26(2)19(10-22(31)28(18,26)34)15-8-24(33)36-12-15/h8,13-14,16-23,25,31-32,34-35H,3-7,9-12H2,1-2H3

Cluster

Phytochemical cluster No. 56
KCF-S cluster No. 468

Link

ChEMBL

By standard InChI CHEMBL448177
By standard InChI Main Layer CHEMBL448177 CHEMBL505598

KEGG

By LinkDB

CTD

By CAS RN