EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184188 - 3,4,5-trihydroxy-6-[(4-oxo-2-phenyl-4H-chromen-3-yl)oxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:184188
ChEBI Name3,4,5-trihydroxy-6-[(4-oxo-2-phenyl-4H-chromen-3-yl)oxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O9
Net Charge0
Average Mass414.366
Monoisotopic Mass414.09508
SMILESO=C(O)C1OC(Oc2c(-c3ccccc3)oc3ccccc3c2=O)C(O)C(O)C1O
InChIInChI=1S/C21H18O9/c22-13-11-8-4-5-9-12(11)28-17(10-6-2-1-3-7-10)18(13)29-21-16(25)14(23)15(24)19(30-21)20(26)27/h1-9,14-16,19,21,23-25H,(H,26,27)
InChIKeyVEKBKNOLQIUOFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[(4-oxo-2-phenyl-4H-chromen-3-yl)oxy]oxane-2-carboxylic acid (CHEBI:184188) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-[(4-oxo-2-phenyl-4H-chromen-3-yl)oxy]oxane-2-carboxylic acid (CHEBI:184188) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-(4-oxo-2-phenylchromen-3-yl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0134551HMDB