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CHEBI:170048 - 3-oxoindane-1-carboxylic acid

ChEBI IDCHEBI:170048
ChEBI Name3-oxoindane-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H8O3
Net Charge0
Average Mass176.171
Monoisotopic Mass176.04734
SMILESO=C1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C10H8O3/c11-9-5-8(10(12)13)6-3-1-2-4-7(6)9/h1-4,8H,5H2,(H,12,13)
InChIKeyHXLJFMRZKCSTQD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
ChEBI Ontology
Outgoing Relation(s)
3-oxoindane-1-carboxylic acid (CHEBI:170048) is a indanones (CHEBI:24789)
IUPAC Name 
3-oxo-1,2-dihydroindene-1-carboxylic acid
Manual XrefsDatabases
90183ChemSpider
Registry NumbersSources
CAS:29427-69-8ChemIDplus