CHEBI:169560 - 4-Methyl-1-phenyl-2-pentanone

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 4-Methyl-1-phenyl-2-pentanone
ChEBI ID CHEBI:169560
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H16O
Net Charge 0
Average Mass 176.259
Monoisotopic Mass 176.12012
InChI InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey DTYGTEGDVPAKDA-UHFFFAOYSA-N
SMILES O=C(CC(C)C)CC1=CC=CC=C1
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 4-Methyl-1-phenyl-2-pentanone (CHEBI:169560) is a benzenes (CHEBI:22712)
IUPAC Name
4-methyl-1-phenylpentan-2-one
Manual Xrefs Databases
190439 ChemSpider
HMDB0031569 HMDB
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Registry Number Type Source
5349-62-2 CAS Registry Number ChemIDplus