2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CHEBI:193248)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

ChEBI ID	CHEBI:193248

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H20O8

Net Charge

Average Mass

424.405

Monoisotopic Mass

424.11582

InChI

InChI=1S/C23H20O8/c1-23(2,31-18(27)9-4-12-3-7-14(24)15(25)11-12)22-20(28)19-16(29-22)8-5-13-6-10-17(26)30-21(13)19/h3-11,20,22,24-25,28H,1-2H3/b9-4+

InChIKey

CETQVGNRBKIDHQ-RUDMXATFSA-N

SMILES

O1C(C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)(C)C)C(O)C3=C1C=CC4=C3OC(=O)C=C4

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CHEBI:193248) is a furanocoumarin (CHEBI:24128)

IUPAC Name

2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate