CHEBI:193188 - 6-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one

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ChEBI Name 6-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
ChEBI ID CHEBI:193188
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H16O6
Net Charge 0
Average Mass 292.287
Monoisotopic Mass 292.09469
InChI InChI=1S/C15H16O6/c1-18-10-6-13(21-15(17)7-10)11(16)4-9-2-3-12-14(5-9)20-8-19-12/h2-3,5,7,11,13,16H,4,6,8H2,1H3
InChIKey YKHMXOMKQASUTJ-UHFFFAOYSA-N
SMILES O1C(C(O)CC2=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)-1-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:193188) is a 2-pyranones (CHEBI:75885)
6-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:193188) is a aromatic ether (CHEBI:35618)
IUPAC Name
2-[2-(1,3-benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-2,3-dihydropyran-6-one
Manual Xref Database
74852928 ChemSpider
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