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CHEBI:211356 - Alternatain B

ChEBI IDCHEBI:211356
ChEBI NameAlternatain B
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SubmitterMetaboLights
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FormulaC15H12O8
Net Charge0
Average Mass320.253
Monoisotopic Mass320.05322
SMILESCOc1cc(O)c(C(=O)O)c(-c2cc(=O)oc(C(=O)O)c2C)c1
InChIInChI=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)
InChIKeyAMQQOIVBBONRIW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (31381956)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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