PCIDB

KNApSAcK Metabolite C00016049

Metabolite

KNApSAcK Entry

id C00016049
Name Avocettin / Koningic acid / Heptelidic acid / (+)-Heptelidic acid
CAS RN 57710-57-3
Standard InChI InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10?,11-,12-,15-/m1/s1
Standard InChI (Main Layer) InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)

Cluster

Phytochemical cluster
KCF-S cluster No. 6271

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN C027285