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CHEBI:229001 - 3,4-Dioxymethylene-5-methoxy-1-(1-oxopropyl)benzene

ChEBI IDCHEBI:229001
ChEBI Name3,4-Dioxymethylene-5-methoxy-1-(1-oxopropyl)benzene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCCC(=O)c1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C11H12O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h4-5H,3,6H2,1-2H3
InChIKeyVQZAATPWXSLYBI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
3,4-Dioxymethylene-5-methoxy-1-(1-oxopropyl)benzene (CHEBI:229001) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1-(7-methoxy-1,3-benzodioxol-5-yl)propan-1-one
Manual XrefsDatabases
154227ChemSpider