CHEBI:202196 - Pestalotiopin A

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ChEBI Name Pestalotiopin A
ChEBI ID CHEBI:202196
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12O4
Net Charge 0
Average Mass 172.180
Monoisotopic Mass 172.07356
InChI InChI=1S/C8H12O4/c1-6(5-8(10)11)3-4-12-7(2)9/h5H,3-4H2,1-2H3,(H,10,11)/b6-5+
InChIKey WRWUZZKIEIMUGX-AATRIKPKSA-N
SMILES O=C(O)/C=C(/CCOC(=O)C)\C
Metabolite of Species Details
Pestalotiopsisspecies (NCBI:txid36460) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Pestalotiopin A (CHEBI:202196) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name
(E)-5-acetyloxy-3-methylpent-2-enoic acid
Manual Xref Database
27026282 ChemSpider
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