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CHEBI:194015 - 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid

ChEBI IDCHEBI:194015
ChEBI Name3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O6
Net Charge0
Average Mass254.238
Monoisotopic Mass254.07904
SMILESCOc1c(CCC(=O)O)cc2c(c1OC)OCO2
InChIInChI=1S/C12H14O6/c1-15-10-7(3-4-9(13)14)5-8-11(12(10)16-2)18-6-17-8/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyKHVSSAHWBPUYGY-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)propanoic acid (CHEBI:194015) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propanoic acid
Manual XrefsDatabases
74852303ChemSpider