CHEBI:167824 - Heptanophenone

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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 Heptanophenone
ChEBI ID CHEBI:167824
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H18O
Net Charge 0
Average Mass 190.286
Monoisotopic Mass 190.13577
InChI InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey UXMQORVHJMUQFD-UHFFFAOYSA-N
SMILES O=C(C1=CC=CC=C1)CCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing Heptanophenone (CHEBI:167824) is a aromatic ketone (CHEBI:76224)
IUPAC Name
1-phenylheptan-1-one
Manual Xref Database
66887 ChemSpider
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Registry Number Type Source
1671-75-6 CAS Registry Number ChemIDplus