Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:41:09 UTC
Update Date2022-08-31 17:16:52 UTC
Metabolite IDMMDBc0029775
Metabolite Identification
Common Name2,3-Dihydro-2,3-dihydroxybenzoic acid
Description2,3-dihydro-2,3-dihydroxybenzoate is a member of the chemical class known as Beta Hydroxy Acids and Derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
Structure
Synonyms
ValueSource
(2S,3S)-2,3-Dihydroxy-2,3-dihydrobenzoic acidGenerator
Molecular FormulaC7H8O4
Average Mass156.136
Monoisotopic Mass156.042258744
IUPAC Name5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
Traditional Name5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
CAS Registry NumberNot Available
SMILES
OC1C=CC=C(C1O)C(O)=O
InChI Identifier
InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)
InChI KeyINCSWYKICIYAHB-UHFFFAOYSA-N