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CHEBI:194014 - 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxypropanal

ChEBI IDCHEBI:194014
ChEBI Name3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxypropanal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O6
Net Charge0
Average Mass254.238
Monoisotopic Mass254.07904
SMILESCOc1c(C(O)CC=O)cc2c(c1OC)OCO2
InChIInChI=1S/C12H14O6/c1-15-10-7(8(14)3-4-13)5-9-11(12(10)16-2)18-6-17-9/h4-5,8,14H,3,6H2,1-2H3
InChIKeyVBFUQFWTIKCETR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-hydroxypropanal (CHEBI:194014) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-3-hydroxypropanal
Manual XrefsDatabases
74852300ChemSpider