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CHEBI:146307 - 5-methylorsellinic acid

ChEBI IDCHEBI:146307
ChEBI Name5-methylorsellinic acid
Stars
DefinitionA dihydroxybenzoic acid that is o-orsellinic acid in which the hydrogen at position 5 is substituted by a methyl group.
Last Modified12 March 2020
SubmitterAdnan
DownloadsMolfile
FormulaC9H10O4
Net Charge0
Average Mass182.175
Monoisotopic Mass182.05791
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)
InChIKeyGIBRZOCMRFRCOQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Byssochlamys nivea (ncbitaxon:5093) cell suspension culture (BTO:0000221) PubMed (15640234)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
5-methylorsellinic acid (CHEBI:146307) has functional parent o-orsellinic acid (CHEBI:32807)
5-methylorsellinic acid (CHEBI:146307) has role fungal metabolite (CHEBI:76946)
5-methylorsellinic acid (CHEBI:146307) is a dihydroxybenzoic acid (CHEBI:23778)
5-methylorsellinic acid (CHEBI:146307) is a resorcinols (CHEBI:33572)
5-methylorsellinic acid (CHEBI:146307) is conjugate acid of 5-methylorsellinate (CHEBI:146172)
Incoming Relation(s)
5-methylorsellinate (CHEBI:146172) is conjugate base of 5-methylorsellinic acid (CHEBI:146307)
IUPAC Name 
4,6-dihydroxy-2,3-dimethylbenzoic acid
Synonyms  Source
2,4-dihydroxy-5,6-dimethylbenzoic acidChEBI
5-methylorsellinic acidChEBI
Registry NumbersSources
CAS:519-42-6ChEBI
Citations