PCIDB

KNApSAcK Metabolite C00023478

Metabolite

KNApSAcK Entry

id C00023478
Name ent-Clerod-3,13E-dien-15-al-17-oic acid
CAS RN 126239-80-3
Standard InChI InChI=1S/C20H30O3/c1-14(10-13-21)8-11-20(4)16(18(22)23)9-12-19(3)15(2)6-5-7-17(19)20/h6,10,13,16-17H,5,7-9,11-12H2,1-4H3,(H,22,23)/b14-10+/t16-,17-,19-,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H30O3/c1-14(10-13-21)8-11-20(4)16(18(22)23)9-12-19(3)15(2)6-5-7-17(19)20/h6,10,13,16-17H,5,7-9,11-12H2,1-4H3,(H,22,23)

Cluster

Phytochemical cluster
KCF-S cluster No. 221

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN