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

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ChEBI Name 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 ID CHEBI:193347
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H22O12
Net Charge 0
Average Mass 502.428
Monoisotopic Mass 502.11113
InChI InChI=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)
InChIKey VQHGSFNSQPSCTP-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1C(O)=O)C(C(=O)C2=C(OC)C3=C(OC=C3)C=C2)C(=O)C4=CC(O)=C(O)C=C4
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
74886709 ChemSpider
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