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CHEBI:3369 - capillin

ChEBI IDCHEBI:3369
ChEBI Namecapillin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H8O
Net Charge0
Average Mass168.195
Monoisotopic Mass168.05751
SMILESCC#CC#CC(=O)c1ccccc1
InChIInChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3
InChIKeyRAZOKRUZEQERLH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
capillin (CHEBI:3369) is a aromatic ketone (CHEBI:76224)
capillin (CHEBI:3369) is a ynone (CHEBI:51723)
IUPAC Name 
1-phenylhexa-2,4-diyn-1-one
Synonyms  Source
CapillinKEGG COMPOUND
2,4-HexadiynophenoneChemIDplus
Manual XrefsDatabases
C08398KEGG COMPOUND
C00000328KNApSAcK
Registry NumbersSources
Beilstein:1865168Beilstein
CAS:495-74-9KEGG COMPOUND
CAS:495-74-9ChemIDplus
CAS:495-74-9NIST Chemistry WebBook