ISOPHORONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6544
Name
ISOPHORONE
IUPAC name
3,5,5-trimethylcyclohex-2-en-1-one
SMILES
CC1=CC(=O)CC(C1)(C)C
Molecular formula
C9H14O
Molecular weight
138.21 g/mol
Monoisotopic mass
138.1045 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Crocus vernus (L.) Hill | flower | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|