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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)oxirane-2-carboxylic acid

ChEBI ID	CHEBI:193436

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12O7

Net Charge

Average Mass

268.221

Monoisotopic Mass

268.05830

InChI

InChI=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)

InChIKey

RYTVIWDIOCIGDR-UHFFFAOYSA-N

SMILES

O1C(C1C(O)=O)C=2C(OC)=C(OC)C=3OCOC3C2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	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