PCIDB

KNApSAcK Metabolite C00022709

Metabolite

KNApSAcK Entry

id C00022709
Name Agathalic acid
CAS RN 19605-75-5
Standard InChI InChI=1S/C20H30O3/c1-14(12-18(22)23)6-8-16-15(2)7-9-17-19(3,13-21)10-5-11-20(16,17)4/h12-13,16-17H,2,5-11H2,1,3-4H3,(H,22,23)/b14-12+/t16-,17?,19+,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H30O3/c1-14(12-18(22)23)6-8-16-15(2)7-9-17-19(3,13-21)10-5-11-20(16,17)4/h12-13,16-17H,2,5-11H2,1,3-4H3,(H,22,23)

Cluster

Phytochemical cluster
KCF-S cluster No. 228

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN