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CHEBI:203117 - Altenuic acid III

ChEBI IDCHEBI:203117
ChEBI NameAltenuic acid III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O8
Net Charge0
Average Mass324.285
Monoisotopic Mass324.08452
SMILESCOc1cc(O)c(C(=O)O)c(C2CC(=O)OC2(C)CC(=O)O)c1
InChIInChI=1S/C15H16O8/c1-15(6-11(17)18)9(5-12(19)23-15)8-3-7(22-2)4-10(16)13(8)14(20)21/h3-4,9,16H,5-6H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyKZCNICMEMSUHNP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - DOI (10.1002/ejoc.201300879)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Altenuic acid III (CHEBI:203117) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
2-[2-(carboxymethyl)-2-methyl-5-oxooxolan-3-yl]-6-hydroxy-4-methoxybenzoic acid
Manual XrefsDatabases
78434752ChemSpider