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CHEBI:169647 - 3-Benzyl-4-heptanone

ChEBI IDCHEBI:169647
ChEBI Name3-Benzyl-4-heptanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O
Net Charge0
Average Mass204.313
Monoisotopic Mass204.15142
SMILESCCCC(=O)C(CC)Cc1ccccc1
InChIInChI=1S/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyCGTCWTIGDNJZOX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3-Benzyl-4-heptanone (CHEBI:169647) is a benzenes (CHEBI:22712)
IUPAC Name 
3-benzylheptan-4-one
Manual XrefsDatabases
HMDB0041482HMDB
4576426ChemSpider
Registry NumbersSources
CAS:7492-37-7ChemIDplus