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CHEBI:193347 - 6-[1-(3,4-dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:193347
ChEBI Name6-[1-(3,4-dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O12
Net Charge0
Average Mass502.428
Monoisotopic Mass502.11113
SMILESCOc1c(C(=O)C(C(=O)c2ccc(O)c(O)c2)C2OC(C(=O)O)C(O)C(O)C2O)ccc2occc12
InChIInChI=1S/C24H22O12/c1-34-21-10-6-7-35-14(10)5-3-11(21)17(28)15(16(27)9-2-4-12(25)13(26)8-9)22-19(30)18(29)20(31)23(36-22)24(32)33/h2-8,15,18-20,22-23,25-26,29-31H,1H3,(H,32,33)
InChIKeyVQHGSFNSQPSCTP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
6-[1-(3,4-dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:193347) is a dihydrochalcones (CHEBI:71230)
IUPAC Name 
6-[1-(3,4-dihydroxyphenyl)-3-(4-methoxy-1-benzouran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
74886709ChemSpider