(8-{2-[(3-methylbut-2-enoyl)oxy]propan-2-yl}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl)oxidanesulfonic acid (CHEBI:193363)

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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	(8-{2-[(3-methylbut-2-enoyl)oxy]propan-2-yl}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl)oxidanesulfonic acid

ChEBI ID	CHEBI:193363

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H20O9S

Net Charge

Average Mass

424.420

Monoisotopic Mass

424.08280

InChI

InChI=1S/C19H20O9S/c1-10(2)9-14(21)27-19(3,4)18-17(28-29(22,23)24)15-12(25-18)7-5-11-6-8-13(20)26-16(11)15/h5-9,17-18H,1-4H3,(H,22,23,24)

InChIKey

GZWWMLVVRIKOCB-UHFFFAOYSA-N

SMILES

S(OC1C(OC2=C1C=3OC(=O)C=CC3C=C2)C(OC(=O)C=C(C)C)(C)C)(O)(=O)=O

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

ChEBI Ontology
Outgoing	(8-{2-[(3-methylbut-2-enoyl)oxy]propan-2-yl}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl)oxidanesulfonic acid (CHEBI:193363) is a furanocoumarin (CHEBI:24128)

IUPAC Name

2-(2-oxo-9-sulooxy-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl 3-methylbut-2-enoate