CHEBI:27930 - indan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name indan-2-one
ChEBI ID CHEBI:27930
Definition An indanone with an oxo substituent at position 2. It is a metabolite of indane.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1173, CHEBI:19664
Supplier Information
Download Molfile XML SDF
Formula C9H8O
Net Charge 0
Average Mass 132.15922
Monoisotopic Mass 132.05751
InChI InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
InChIKey UMJJFEIKYGFCAT-UHFFFAOYSA-N
SMILES O=C1Cc2ccccc2C1
Roles Classification
Biological Role(s): xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing indan-2-one (CHEBI:27930) has role xenobiotic metabolite (CHEBI:76206)
indan-2-one (CHEBI:27930) is a indanone (CHEBI:38132)
Incoming 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 Sources
2-Indanone KEGG COMPOUND
β-hydrindone NIST Chemistry WebBook
Manual Xrefs Databases
2INDANONE MetaCyc
c0402 UM-BBD
C07727 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
464655 Gmelin Registry Number Gmelin
615-13-4 CAS Registry Number NIST Chemistry WebBook
615-13-4 CAS Registry Number ChemIDplus
636550 Beilstein Registry Number Beilstein
636550 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
2325154 PubMed citation Europe PMC
7944365 PubMed citation Europe PMC
Last Modified
13 March 2017