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CHEBI:81695 - 4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate

ChEBI IDCHEBI:81695
ChEBI Name4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate
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FormulaC15H12O10
Net Charge0
Average Mass352.251
Monoisotopic Mass352.04305
SMILESCOc1cc(C(=O)O)cc(C(=O)/C=C(\C=C(\O)C(=O)O)C(=O)O)c1O
InChIInChI=1S/C15H12O10/c1-25-11-5-6(13(19)20)2-8(12(11)18)9(16)3-7(14(21)22)4-10(17)15(23)24/h2-5,17-18H,1H3,(H,19,20)(H,21,22)(H,23,24)/b7-3+,10-4+
InChIKeyVZGTUGLDTXOTPI-DROBUMMNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate (CHEBI:81695) is a methoxybenzoic acid (CHEBI:25238)
Manual XrefsDatabases
C18349KEGG COMPOUND