EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:48969 - (2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid

ChEBI IDCHEBI:48969
ChEBI Name(2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid
Stars
ASCII Name(2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid
Last Modified7 October 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H8O4
Net Charge0
Average Mass156.137
Monoisotopic Mass156.04226
SMILESO=C(O)C1=CC=C[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)/t5-,6-/m1/s1
InChIKeyINCSWYKICIYAHB-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)
(2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48969) is a 2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:15941)
(2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48969) is enantiomer of (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48968)
Incoming Relation(s)
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48968) is enantiomer of (2R,3R)-2,3-dihydroxy-2,3-dihydrobenzoic acid (CHEBI:48969)
IUPAC Name 
(5R,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
Registry NumbersSources
Beilstein:2937648Beilstein