2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl acetate (CHEBI:193394)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 acetate

ChEBI ID	CHEBI:193394

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O6

Net Charge

Average Mass

304.298

Monoisotopic Mass

304.09469

InChI

InChI=1S/C16H16O6/c1-8(17)22-16(2,3)15-13(19)12-10(20-15)6-4-9-5-7-11(18)21-14(9)12/h4-7,13,15,19H,1-3H3

InChIKey

GZMKMMSCOHLOLH-UHFFFAOYSA-N

SMILES

O1C(C(OC(=O)C)(C)C)C(O)C2=C1C=CC3=C2OC(=O)C=C3

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 acetate (CHEBI:193394) is a furanocoumarin (CHEBI:24128)

IUPAC Name

2-(9-hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl acetate