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CHEBI:180862 - 6-[5-(2-carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:180862
ChEBI Name6-[5-(2-carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O12
Net Charge0
Average Mass388.281
Monoisotopic Mass388.06418
SMILESO=C(O)C(=O)Cc1cc(O)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C15H16O12/c16-5-1-4(2-6(17)13(22)23)3-7(8(5)18)26-15-11(21)9(19)10(20)12(27-15)14(24)25/h1,3,9-12,15-16,18-21H,2H2,(H,22,23)(H,24,25)
InChIKeyGWEFMQRDZWXOOD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
6-[5-(2-carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180862) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[5-(2-carboxy-2-oxoethyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125277HMDB