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CHEBI:180723 - 6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one

ChEBI IDCHEBI:180723
ChEBI Name6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O6
Net Charge0
Average Mass292.287
Monoisotopic Mass292.09469
SMILESCOC1=C(O)C(=O)OC(CCc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C15H16O6/c1-18-13-7-10(21-15(17)14(13)16)4-2-9-3-5-11-12(6-9)20-8-19-11/h3,5-6,10,16H,2,4,7-8H2,1H3
InChIKeyKVSOEASKFKXGLP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:180723) is a 2-pyranones (CHEBI:75885)
6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-3-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:180723) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-hydroxy-4-methoxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
HMDB0131690HMDB
74852931ChemSpider