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CHEBI:202196 - Pestalotiopin A

ChEBI IDCHEBI:202196
ChEBI NamePestalotiopin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O4
Net Charge0
Average Mass172.180
Monoisotopic Mass172.07356
SMILESCC(=O)OCC/C(C)=C/C(=O)O
InChIInChI=1S/C8H12O4/c1-6(5-8(10)11)3-4-12-7(2)9/h5H,3-4H2,1-2H3,(H,10,11)/b6-5+
InChIKeyWRWUZZKIEIMUGX-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.tetlet.2010.10.131)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopin A (CHEBI:202196) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name 
(E)-5-acetyloxy-3-methylpent-2-enoic acid
Manual XrefsDatabases
27026282ChemSpider