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CHEBI:27930 - indan-2-one

ChEBI IDCHEBI:27930
ChEBI Nameindan-2-one
Stars
DefinitionAn indanone with an oxo substituent at position 2. It is a metabolite of indane.
Secondary ChEBI IDsCHEBI:1173, CHEBI:19664
Last Modified13 March 2017
DownloadsMolfile
FormulaC9H8O
Net Charge0
Average Mass132.162
Monoisotopic Mass132.05751
SMILESO=C1Cc2ccccc2C1
InChIInChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
InChIKeyUMJJFEIKYGFCAT-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
indan-2-one (CHEBI:27930) has role xenobiotic metabolite (CHEBI:76206)
indan-2-one (CHEBI:27930) is a indanone (CHEBI:38132)
Incoming Relation(s)
1-formylindan-2-one (CHEBI:28779) has functional parent indan-2-one (CHEBI:27930)
indan-2-one oxime (CHEBI:34291) has functional parent indan-2-one (CHEBI:27930)
IUPAC Name 
1,3-dihydro-2H-inden-2-one
Synonyms  Source
2-IndanoneKEGG COMPOUND
β-hydrindoneNIST Chemistry WebBook
Manual XrefsDatabases
C07727KEGG COMPOUND
c0402UM-BBD
2INDANONEMetaCyc
Registry NumbersSources
Gmelin:464655Gmelin
Reaxys:636550Reaxys
CAS:615-13-4KEGG COMPOUND
CAS:615-13-4NIST Chemistry WebBook
CAS:615-13-4ChemIDplus
Citations