Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key OMXFYKCGCDGYNC-KAMYIIQDSA-N
Smiles CCC1(C(=O)CCC1=O)C/C=C\2/CCCC3=C2C=CC(=C3)OC
InChI
InChI=1S/C20H24O3/c1-3-20(18(1S/C20H24O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13H,3-6,9-10,12H2,1-2H3/b14-11-

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24O3

Cross References

Resources Reference
CAS NUMBER 850-92-0
NORMAN SUSDAT
PubChem 70062
ChemSpider 4956700.0