3-methylorsellinic acid (CHEBI:146309)

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ChEBI Name	3-methylorsellinic acid

ChEBI ID	CHEBI:146309

Definition	A dihydroxybenzoic acid that is o-orsellinic acid in which the hydrogen at position 3 is substituted by a methyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Secondary ChEBI IDs	CHEBI:144202

Supplier Information

Download	Molfile XML SDF

Formula

C9H10O4

Net Charge

Average Mass

182.175

Monoisotopic Mass

182.05791

InChI

InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)

InChIKey

VHNLJRRECIZZPX-UHFFFAOYSA-N

SMILES

C=1(C(=C(C(=C(C1)C)C(=O)O)O)C)O

Metabolite of Species	Details
Cephalosporium sp. (NCBI:txid1981612)	of strain AL031 See: PubMed
Aspergillus terreus (NCBI:txid33178)	See: DOI
Penicillium sp. (NCBI:txid508)	of strain KMM 4672 See: PubMed
Penicillium sp.nulosum (NCBI:txid63822)	See: PubMed
Ramalina capitata (NCBI:txid859456)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .

ChEBI Ontology
Outgoing	3-methylorsellinic acid (CHEBI:146309) has functional parent o-orsellinic acid (CHEBI:32807) 3-methylorsellinic acid (CHEBI:146309) has role Aspergillus metabolite (CHEBI:76956) 3-methylorsellinic acid (CHEBI:146309) has role antibacterial agent (CHEBI:33282) 3-methylorsellinic acid (CHEBI:146309) has role fungal metabolite (CHEBI:76946) 3-methylorsellinic acid (CHEBI:146309) is a dihydroxybenzoic acid (CHEBI:23778) 3-methylorsellinic acid (CHEBI:146309) is a resorcinols (CHEBI:33572) 3-methylorsellinic acid (CHEBI:146309) is conjugate acid of 3-methylorsellinate (CHEBI:146372)

Incoming	3-methylorsellinate (CHEBI:146372) is conjugate base of 3-methylorsellinic acid (CHEBI:146309)

IUPAC Name

2,4-dihydroxy-3,6-dimethylbenzoic acid

Synonyms	Sources
3,6-dimethyl-2,4-dihydroxybenzoic acid	ChEBI
β-orcinolcarboxylic acid	ChEBI

Registry Number	Type	Source
4707-46-4	CAS Registry Number	ChEBI

Last Modified

13 March 2020