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CHEBI:223495 - Pestallic acid F

ChEBI IDCHEBI:223495
ChEBI NamePestallic acid F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESC/C(=C\C(=O)O)CCc1cc(C(=O)O)ccc1O
InChIInChI=1S/C13H14O5/c1-8(6-12(15)16)2-3-9-7-10(13(17)18)4-5-11(9)14/h4-7,14H,2-3H2,1H3,(H,15,16)(H,17,18)/b8-6+
InChIKeyZJSJLOLESZHLNG-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:37840) - PubMed (32286514)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pestallic acid F (CHEBI:223495) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
3-[(E)-4-carboxy-3-methylbut-3-enyl]-4-hydroxybenzoic acid