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CHEBI:146372 - 3-methylorsellinate

ChEBI IDCHEBI:146372
ChEBI Name3-methylorsellinate
Stars
DefinitionA dihydroxybenzoate that is the conjugate base of 3-methylorsellinic acid, obtained by the deprotonation of the carboxy group. It is the major species at pH 7.3.
Last Modified15 June 2020
SubmitterAdnan
DownloadsMolfile
FormulaC9H9O4
Net Charge-1
Average Mass181.167
Monoisotopic Mass181.05063
SMILESCc1cc(O)c(C)c(O)c1C(=O)[O-]
InChIInChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)/p-1
InChIKeyVHNLJRRECIZZPX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-methylorsellinate (CHEBI:146372) is a dihydroxybenzoate (CHEBI:36084)
3-methylorsellinate (CHEBI:146372) is conjugate base of 3-methylorsellinic acid (CHEBI:146309)
Incoming Relation(s)
3-methylorsellinic acid (CHEBI:146309) is conjugate acid of 3-methylorsellinate (CHEBI:146372)
IUPAC Name 
2,4-dihydroxy-3,6-dimethylbenzoate
Synonyms  Source
3-methylorsellinateChEBI
3,6-dimethyl-2,4-dihydroxybenzoateChEBI
β-orcinolcarboxylateChEBI
UniProt Name  Source
3-methylorsellinateUniProt
Citations