PCIDB

KNApSAcK Metabolite C00003603

Metabolite

KNApSAcK Entry

id C00003603
Name Asclepin
CAS RN 36573-63-4
Standard InChI InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL445086
By standard InChI Main Layer CHEMBL445086

KEGG

By LinkDB C08849

CTD

By CAS RN C020214