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CHEBI:193214 - 3,4,5-trihydroxy-6-{[2-oxo-6-(3-oxobutyl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:193214
ChEBI Name3,4,5-trihydroxy-6-{[2-oxo-6-(3-oxobutyl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O10
Net Charge0
Average Mass408.359
Monoisotopic Mass408.10565
SMILESCC(=O)CCc1cc2ccc(=O)oc2cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C19H20O10/c1-8(20)2-3-9-6-10-4-5-13(21)27-11(10)7-12(9)28-19-16(24)14(22)15(23)17(29-19)18(25)26/h4-7,14-17,19,22-24H,2-3H2,1H3,(H,25,26)
InChIKeyBWNLJVFWCIKESC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[2-oxo-6-(3-oxobutyl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:193214) is a coumarins (CHEBI:23403)
3,4,5-trihydroxy-6-{[2-oxo-6-(3-oxobutyl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:193214) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[2-oxo-6-(3-oxobutyl)chromen-7-yl]oxyoxane-2-carboxylic acid