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CHEBI:168715 - Quinolacetic acid

ChEBI IDCHEBI:168715
ChEBI NameQuinolacetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESO=C1C=CC(O)(CC(=O)O)C=C1
InChIInChI=1S/C8H8O4/c9-6-1-3-8(12,4-2-6)5-7(10)11/h1-4,12H,5H2,(H,10,11)
InChIKeyRFJUCKOEXRTZPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Quinolacetic acid (CHEBI:168715) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetic acid
Manual XrefsDatabases
HMDB0240257HMDB
4955602ChemSpider
Registry NumbersSources
CAS:55604-87-0ChemIDplus