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

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ChEBI Name 3,4,5-trihydroxy-6-{[2-oxo-6-(3-oxobutyl)-2H-chromen-7-yl]oxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:193214
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H20O10
Net Charge 0
Average Mass 408.359
Monoisotopic Mass 408.10565
InChI InChI=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)
InChIKey BWNLJVFWCIKESC-UHFFFAOYSA-N
SMILES O1C(OC2=C(CCC(=O)C)C=C3C(OC(=O)C=C3)=C2)C(O)C(O)C(O)C1C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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