PCIDB

KNApSAcK Metabolite C00039436

Metabolite

KNApSAcK Entry

id C00039436
Name Isodesacetyluvaricin
CAS RN 136033-39-1
Standard InChI InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3/t29-,31+,32+,33+,34+,35+,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3

Cluster

Phytochemical cluster No. 70
KCF-S cluster No. 6

Link

ChEMBL

By standard InChI CHEMBL62800
By standard InChI Main Layer CHEMBL13700 CHEMBL62800 CHEMBL145449 CHEMBL452872 CHEMBL503744 CHEMBL484529

KEGG

By LinkDB

CTD

By CAS RN