CHEBI:211356 - Alternatain B

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ChEBI Name Alternatain B
ChEBI ID CHEBI:211356
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C15H12O8
Net Charge 0
Average Mass 320.253
Monoisotopic Mass 320.05322
InChI InChI=1S/C15H12O8/c1-6-8(5-11(17)23-13(6)15(20)21)9-3-7(22-2)4-10(16)12(9)14(18)19/h3-5,16H,1-2H3,(H,18,19)(H,20,21)
InChIKey AMQQOIVBBONRIW-UHFFFAOYSA-N
SMILES O=C1OC(=C(C)C(=C1)C2=C(C(O)=CC(=C2)OC)C(=O)O)C(=O)O
Metabolite of Species Details
Alternaria (NCBI:txid5598) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Alternatain B (CHEBI:211356) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name
4-(2-carboxy-3-hydroxy-5-methoxyphenyl)-3-methyl-6-oxopyran-2-carboxylic acid