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CHEBI:193436 - 3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid

ChEBI IDCHEBI:193436
ChEBI Name3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O7
Net Charge0
Average Mass268.221
Monoisotopic Mass268.05830
SMILESCOc1c(C2OC2C(=O)O)cc2c(c1OC)OCO2
InChIInChI=1S/C12H12O7/c1-15-7-5(8-11(19-8)12(13)14)3-6-9(10(7)16-2)18-4-17-6/h3,8,11H,4H2,1-2H3,(H,13,14)
InChIKeyRYTVIWDIOCIGDR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid (CHEBI:193436) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid
Manual XrefsDatabases
74852310ChemSpider