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CHEBI:132131 - 3,5-dimethylorsellinic acid

ChEBI IDCHEBI:132131
ChEBI Name3,5-dimethylorsellinic acid
Stars
DefinitionA member of the class of dihydroxybenzoic acids that is o-orsellinic acid carrying two additional methyl substituents at positions 3 and 5.
Last Modified6 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
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)
InChIKeyNZGSNQJCTOMELT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus NIH2624 (ncbitaxon:341663) - PubMed (25671343) Strain: NIH2624
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
3,5-dimethylorsellinic acid (CHEBI:132131) has functional parent o-orsellinic acid (CHEBI:32807)
3,5-dimethylorsellinic acid (CHEBI:132131) has role Aspergillus metabolite (CHEBI:76956)
3,5-dimethylorsellinic acid (CHEBI:132131) is a dihydroxybenzoic acid (CHEBI:23778)
3,5-dimethylorsellinic acid (CHEBI:132131) is a resorcinols (CHEBI:33572)
3,5-dimethylorsellinic acid (CHEBI:132131) is conjugate acid of 3,5-dimethylorsellinate (CHEBI:131856)
Incoming Relation(s)
3,5-dimethylorsellinate (CHEBI:131856) is conjugate base of 3,5-dimethylorsellinic acid (CHEBI:132131)
IUPAC Name 
2,4-dihydroxy-3,5,6-trimethylbenzoic acid
Synonym  Source
DMOAChEBI
Manual XrefsDatabases
CPD-17316MetaCyc
Registry NumbersSources
Reaxys:2645681Reaxys
Citations