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CHEBI:16100 - 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid

ChEBI IDCHEBI:16100
ChEBI Name1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid
Stars
DefinitionA cyclohexadienecarboxylic acid that is cyclohexa-2,4-diene-1-carboxylic acid substituted by hydroxy group at positions 1 and 6 and a methyl group at position 2.
Secondary ChEBI IDsCHEBI:504, CHEBI:11156, CHEBI:18889
Last Modified10 February 2015
DownloadsMolfile
FormulaC8H10O4
Net Charge0
Average Mass170.164
Monoisotopic Mass170.05791
SMILESCC1=CC=CC(O)C1(O)C(=O)O
InChIInChI=1S/C8H10O4/c1-5-3-2-4-6(9)8(5,12)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)
InChIKeyLHEBXDITPBTHSR-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)
1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid (CHEBI:16100) is a cyclohexadienecarboxylic acid (CHEBI:23468)
1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid (CHEBI:16100) is conjugate acid of 1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate (CHEBI:57640)
Incoming Relation(s)
1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate (CHEBI:57640) is conjugate base of 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid (CHEBI:16100)
IUPAC Name 
1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylic acid
Synonym  Source
1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylateKEGG COMPOUND
Manual XrefsDatabases
C06731KEGG COMPOUND
C06731KEGG COMPOUND
c0252UM-BBD