6-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:193453)

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ChEBI Name	6-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one

ChEBI ID	CHEBI:193453

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

Submitter	MetaboLights

Supplier Information

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Formula

C15H16O6

Net Charge

Average Mass

292.287

Monoisotopic Mass

292.09469

InChI

InChI=1S/C15H16O6/c1-18-10-5-11(21-15(17)7-10)6-12(16)9-2-3-13-14(4-9)20-8-19-13/h2-4,7,11-12,16H,5-6,8H2,1H3

InChIKey

PBDMLDUYCREDBG-UHFFFAOYSA-N

SMILES

O1C(CC(O)C2=CC=3OCOC3C=C2)CC(OC)=CC1=O

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

ChEBI Ontology
Outgoing	6-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:193453) is a 2-pyranones (CHEBI:75885) 6-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:193453) is a aromatic ether (CHEBI:35618)

IUPAC Name

2-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methoxy-2,3-dihydropyran-6-one