CHEBI:35572 - phorone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name phorone
ChEBI ID CHEBI:35572
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H14O
Net Charge 0
Average Mass 138.20686
Monoisotopic Mass 138.104
InChI InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3
InChIKey MTZWHHIREPJPTG-UHFFFAOYSA-N
SMILES CC(C)=CC(=O)C=C(C)C
ChEBI Ontology
Outgoing phorone (CHEBI:35572) is a dialkenyl ketone (CHEBI:35575)
IUPAC Name
2,6-dimethylhepta-2,5-dien-4-one
Synonyms Sources
2,5-Heptadien-4-one, 2,6-dimethyl- NIST Chemistry WebBook
Diisobutenyl ketone ChemIDplus
Diisopropylidene acetone ChemIDplus
s-Diisopropylidene acetone NIST Chemistry WebBook
sym-Diisopropylidene acetone NIST Chemistry WebBook
Registry Number Type Source
504-20-1 CAS Registry Number ChemIDplus
Last Modified
28 April 2006