PCIDB

KNApSAcK Metabolite C00022771

Metabolite

KNApSAcK Entry

id C00022771
Name Pinusolide
CAS RN 31685-80-0
Standard InChI InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17?,20+,21-/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 294

Link

ChEMBL

By standard InChI CHEMBL90271
By standard InChI Main Layer CHEMBL90271 CHEMBL425068

KEGG

By LinkDB

CTD

By CAS RN C101973