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

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ChEBI Name 6-({5-[3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoyl]-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:193486
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H20O12
Net Charge 0
Average Mass 500.412
Monoisotopic Mass 500.09548
InChI InChI=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)
InChIKey AMRFVXGCSYKEKZ-UHFFFAOYSA-N
SMILES O1C(OC=2C3=C(OC=C3)C=CC2C(=O)CC(=O)C4=CC=5OCOC5C=C4)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 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