CHEBI:169674 - 6-Phenyl-3-hexen-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 6-Phenyl-3-hexen-2-one
ChEBI ID CHEBI:169674
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14O
Net Charge 0
Average Mass 174.243
Monoisotopic Mass 174.10447
InChI InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-5,7-9H,6,10H2,1H3/b7-5+
InChIKey PHEPHOADHFLZJS-FNORWQNLSA-N
SMILES O=C(\C=C\CCC1=CC=CC=C1)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Phenyl-3-hexen-2-one (CHEBI:169674) is a benzenes (CHEBI:22712)
IUPAC Name
(E)-6-phenylhex-3-en-2-one
Manual Xrefs Databases
4519727 ChemSpider
HMDB0031622 HMDB
View more database links
Registry Number Type Source
33046-41-2 CAS Registry Number ChemIDplus