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CHEBI:75876 - (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid

Default Structure
ChEBI IDCHEBI:75876
ChEBI Name(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid
Stars
ASCII Name(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid
DefinitionA cyclohexadienecarboxylic acid that is cyclohexa-1,5-diene-1-carboxylic acid carrying two hydroxy substituents at positions 3 and 4 (the 3R,4R-stereoisomer).
Last Modified27 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC7H8O4
Net Charge0
Average Mass156.137
Monoisotopic Mass156.04226
SMILESO=C(O)C1=C[C@@H](O)[C@H](O)C=C1
InChIInChI=1S/C7H8O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m1/s1
InChIKeyHEZMWWAKWCSUCB-PHDIDXHHSA-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)
(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid (CHEBI:75876) is a cyclohexadienecarboxylic acid (CHEBI:23468)
(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid (CHEBI:75876) is a cyclohexadienediol (CHEBI:23469)
(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid (CHEBI:75876) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid (CHEBI:75876) is conjugate acid of (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate (CHEBI:75717)
Incoming Relation(s)
(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate (CHEBI:75717) is conjugate base of (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid (CHEBI:75876)
IUPAC Name 
(3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid
Synonyms  Source
(3R,4R)-3,4-dihydroxy-3,4-dihydrobenzoic acidChEBI
DCDCChEBI
Registry NumbersSources
Reaxys:2936284Reaxys
Citations