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CHEBI:146172 - 5-methylorsellinate

ChEBI IDCHEBI:146172
ChEBI Name5-methylorsellinate
Stars
DefinitionA dihydroxybenzoate that is the conjugate base of 5-methylorsellinic acid, obtained by the deprotonation of the carboxy group. It is the major species at pH 7.3.
Last Modified12 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H9O4
Net Charge-1
Average Mass181.167
Monoisotopic Mass181.05063
SMILESCc1c(O)cc(O)c(C(=O)[O-])c1C
InChIInChI=1S/C9H10O4/c1-4-5(2)8(9(12)13)7(11)3-6(4)10/h3,10-11H,1-2H3,(H,12,13)/p-1
InChIKeyGIBRZOCMRFRCOQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-methylorsellinate (CHEBI:146172) is a dihydroxybenzoate (CHEBI:36084)
5-methylorsellinate (CHEBI:146172) is conjugate base of 5-methylorsellinic acid (CHEBI:146307)
Incoming Relation(s)
5-methylorsellinic acid (CHEBI:146307) is conjugate acid of 5-methylorsellinate (CHEBI:146172)
IUPAC Name 
4,6-dihydroxy-2,3-dimethylbenzoate
Synonym  Source
2,4-dihydroxy-5,6-dimethylbenzoateChEBI
UniProt Name  Source
5-methylorsellinateUniProt
Citations