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CHEBI:138667 - piscidic acid

ChEBI IDCHEBI:138667
ChEBI Namepiscidic acid
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Last Modified12 October 2017
Submittermwilliams
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FormulaC11H12O7
Net Charge0
Average Mass256.210
Monoisotopic Mass256.05830
SMILESO=C(O)C(O)C(O)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)
InChIKeyTUODPMGCCJSJRH-UHFFFAOYSA-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)
piscidic acid (CHEBI:138667) is a benzenes (CHEBI:22712)
piscidic acid (CHEBI:138667) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
Manual XrefsDatabases
107741ChemSpider
HMDB0030809HMDB