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CHEBI:131856 - 3,5-dimethylorsellinate

ChEBI IDCHEBI:131856
ChEBI Name3,5-dimethylorsellinate
Stars
DefinitionA dihydroxybenzoate that is the conjugate base of 3,5-dimethylorsellinic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 June 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H11O4
Net Charge-1
Average Mass195.194
Monoisotopic Mass195.06628
SMILESCc1c(C)c(C(=O)[O-])c(O)c(C)c1O
InChIInChI=1S/C10H12O4/c1-4-5(2)8(11)6(3)9(12)7(4)10(13)14/h11-12H,1-3H3,(H,13,14)/p-1
InChIKeyNZGSNQJCTOMELT-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,5-dimethylorsellinate (CHEBI:131856) is a dihydroxybenzoate (CHEBI:36084)
3,5-dimethylorsellinate (CHEBI:131856) is conjugate base of 3,5-dimethylorsellinic acid (CHEBI:132131)
Incoming Relation(s)
3,5-dimethylorsellinic acid (CHEBI:132131) is conjugate acid of 3,5-dimethylorsellinate (CHEBI:131856)
IUPAC Name 
2,4-dihydroxy-3,5,6-trimethylbenzoate
UniProt Name  Source
3,5-dimethylorsellinateUniProt
Manual XrefsDatabases
CPD-17316MetaCyc
Citations