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CHEBI:193486 - 6-({5-[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:193486
ChEBI Name6-({5-[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20O12
Net Charge0
Average Mass500.412
Monoisotopic Mass500.09548
SMILESO=C(CC(=O)c1ccc2occc2c1OC1OC(C(=O)O)C(O)C(O)C1O)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H20O12/c25-13(10-1-3-16-17(7-10)34-9-33-16)8-14(26)11-2-4-15-12(5-6-32-15)21(11)35-24-20(29)18(27)19(28)22(36-24)23(30)31/h1-7,18-20,22,24,27-29H,8-9H2,(H,30,31)
InChIKeyAMRFVXGCSYKEKZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
6-({5-[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:193486) is a flavonoids (CHEBI:72544)
6-({5-[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:193486) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[[5-[3-(1,3-benzodioxol-5-yl)-3-oxopropanoyl]-1-benzouran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid