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CHEBI:168039 - 6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one

ChEBI IDCHEBI:168039
ChEBI Name6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O5
Net Charge0
Average Mass262.261
Monoisotopic Mass262.08412
SMILESO=C1C=C(O)CC(CCc2ccc3c(c2)OCO3)O1
InChIInChI=1S/C14H14O5/c15-10-6-11(19-14(16)7-10)3-1-9-2-4-12-13(5-9)18-8-17-12/h2,4-5,7,11,15H,1,3,6,8H2
InChIKeyHWDDOXZJFCCTFQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one (CHEBI:168039) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-hydroxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
74852932ChemSpider
HMDB0131691HMDB