CHEBI:173960 - 3-Methoxy-4,5-methylenedioxybenzoic acid

ChEBI IDCHEBI:173960
ChEBI Name3-Methoxy-4,5-methylenedioxybenzoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O5
Net Charge0
Average Mass196.158
Monoisotopic Mass196.03717
SMILESCOc1cc(C(=O)O)cc2c1OCO2
InChIInChI=1S/C9H8O5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3,(H,10,11)
InChIKeyAOHAPDDBNAPPIN-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Methoxy-4,5-methylenedioxybenzoic acid (CHEBI:173960) is a trihydroxybenzoic acid (CHEBI:27115)
IUPAC Name 
7-methoxy-1,3-benzodioxole-5-carboxylic acid
Manual XrefsDatabases
HMDB0030800HMDB
527906ChemSpider