EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177846 - 4,5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylic acid

Default Structure
ChEBI IDCHEBI:177846
ChEBI Name4,5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H8O5
Net Charge0
Average Mass172.136
Monoisotopic Mass172.03717
SMILESO=C(O)C1=CC(=O)C(O)C(O)C1
InChIInChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)
InChIKeySLWWJZMPHJJOPH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
4,5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylic acid (CHEBI:177846) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
4,5-dihydroxy-3-oxocyclohexene-1-carboxylic acid
Manual XrefsDatabases
79ChemSpider