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CHEBI:230612 - aurantoic acid

Default Structure
ChEBI IDCHEBI:230612
ChEBI Nameaurantoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13ClO2
Net Charge0
Average Mass224.687
Monoisotopic Mass224.06041
SMILESC/C(Cl)=C/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C12H13ClO2/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-10H,1H3,(H,14,15)/b3-2+,6-4+,7-5+,10-8+,11-9-
InChIKeyXUUUHVRPNJADCG-HKNGRZMZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
aurantoic acid (CHEBI:230612) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2E,4E,6E,8E,10Z)-11-chlorododeca-2,4,6,8,10-pentaenoic acid
Manual XrefsDatabases
24665878ChemSpider