EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174027 - 3-Methoxy-4,5-methylenedioxycinnamaldehyde

ChEBI IDCHEBI:174027
ChEBI Name3-Methoxy-4,5-methylenedioxycinnamaldehyde
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H10O4
Net Charge0
Average Mass206.197
Monoisotopic Mass206.05791
SMILESCOc1cc(/C=C/C=O)cc2c1OCO2
InChIInChI=1S/C11H10O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-6H,7H2,1H3/b3-2+
InChIKeyIQMBSQBMNIILBR-NSCUHMNNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methoxy-4,5-methylenedioxycinnamaldehyde (CHEBI:174027) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
(E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enal
Manual XrefsDatabases
4477764ChemSpider
HMDB0035303HMDB
Registry NumbersSources
CAS:54976-67-9ChemIDplus