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

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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)propanoic acid

ChEBI ID	CHEBI:194015

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H14O6

Net Charge

Average Mass

254.238

Monoisotopic Mass

254.07904

InChI

InChI=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)

InChIKey

KHVSSAHWBPUYGY-UHFFFAOYSA-N

SMILES

O1C2=C(OC1)C(OC)=C(OC)C(CCC(O)=O)=C2

Metabolite of Species	Details
mock community culture	Found in Whole Organism (NCIT:C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	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