PCIDB

KNApSAcK Metabolite C00022708

Metabolite

KNApSAcK Entry

id C00022708
Name Isocupressic acid / (+)-Isocupressic acid / 15-Hydroxy-8(17),13E-labdadien-15-oic acid
CAS RN 1909-91-7
Standard InChI InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17?,19+,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H32O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)

Cluster

Phytochemical cluster
KCF-S cluster No. 143

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL511193

KEGG

By LinkDB

CTD

By CAS RN C110793