EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:58764 - (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate

ChEBI IDCHEBI:58764
ChEBI Name(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate
Stars
ASCII Name(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate
DefinitionConjugate base of (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid.
Last Modified21 January 2016
DownloadsMolfile
FormulaC7H7O4
Net Charge-1
Average Mass155.129
Monoisotopic Mass155.03498
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)/p-1/t5-,6-/m0/s1
InChIKeyINCSWYKICIYAHB-WDSKDSINSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate (CHEBI:58764) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate (CHEBI:58764) is conjugate base 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 conjugate acid of (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate (CHEBI:58764)
IUPAC Name 
(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate
UniProt Name  Source
(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoateUniProt
Manual XrefsDatabases
C04171KEGG COMPOUND