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CHEBI:168520 - Wyeronic acid

ChEBI IDCHEBI:168520
ChEBI NameWyeronic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H10O4
Net Charge0
Average Mass230.219
Monoisotopic Mass230.05791
SMILESC/C=C/C#CC(=O)c1ccc(/C=C\C(=O)O)o1
InChIInChI=1S/C13H10O4/c1-2-3-4-5-11(14)12-8-6-10(17-12)7-9-13(15)16/h2-3,6-9H,1H3,(H,15,16)/b3-2+,9-7-
InChIKeyDMVOIMZYBMLJHN-XKURDXHJSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Wyeronic acid (CHEBI:168520) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
(Z)-3-[5-[(E)-hex-4-en-2-ynoyl]uran-2-yl]prop-2-enoic acid
Manual XrefsDatabases
30777329ChemSpider
HMDB0039141HMDB