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CHEBI:228668 - 1-oxo-2,3-dihydro-1H-inden-4-yl benzoate

ChEBI IDCHEBI:228668
ChEBI Name1-oxo-2,3-dihydro-1H-inden-4-yl benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O3
Net Charge0
Average Mass252.269
Monoisotopic Mass252.07864
SMILESO=C(Oc1cccc2c1CCC2=O)c1ccccc1
InChIInChI=1S/C16H12O3/c17-14-10-9-13-12(14)7-4-8-15(13)19-16(18)11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyVZMQQMAQHFBMGN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
1-oxo-2,3-dihydro-1H-inden-4-yl benzoate (CHEBI:228668) is a indanones (CHEBI:24789)
IUPAC Name 
(1-oxo-2,3-dihydroinden-4-yl) benzoate
Manual XrefsDatabases
2014397ChemSpider