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CHEBI:219760 - Xylarenoic acid

ChEBI IDCHEBI:219760
ChEBI NameXylarenoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12O4
Net Charge0
Average Mass184.191
Monoisotopic Mass184.07356
SMILESC/C=C/C=C(\COC(C)=O)C(=O)O
InChIInChI=1S/C9H12O4/c1-3-4-5-8(9(11)12)6-13-7(2)10/h3-5H,6H2,1-2H3,(H,11,12)/b4-3+,8-5+
InChIKeyIIOKXVSQSQLJMO-SALQQRKASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Xylarenoic acid (CHEBI:219760) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4E)-2-(acetyloxymethyl)hexa-2,4-dienoic acid
Manual XrefsDatabases
78435024ChemSpider