EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167930 - 6-[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one

ChEBI IDCHEBI:167930
ChEBI Name6-[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O6
Net Charge0
Average Mass290.271
Monoisotopic Mass290.07904
SMILESCOC1=CC(=O)OC(/C=C/c2ccc3c(c2)OCO3)C1O
InChIInChI=1S/C15H14O6/c1-18-13-7-14(16)21-11(15(13)17)5-3-9-2-4-10-12(6-9)20-8-19-10/h2-7,11,15,17H,8H2,1H3/b5-3+
InChIKeyILCFKVGBAOFCMD-HWKANZROSA-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-[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:167930) is a 2-pyranones (CHEBI:75885)
6-[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one (CHEBI:167930) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
4524310ChemSpider
HMDB0140336HMDB