PCIDB

KNApSAcK Metabolite C00003446

Metabolite

KNApSAcK Entry

id C00003446
Name Jatrophone
CAS RN 29444-03-9
Standard InChI InChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3/b7-6+,13-9-/t12-,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3

Cluster

Phytochemical cluster No. 47
KCF-S cluster No. 7753

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1968481

KEGG

By LinkDB C09120

CTD

By CAS RN C006386