3-methylcatechol (CHEBI:18404)

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ChEBI Name	3-methylcatechol

ChEBI ID	CHEBI:18404

Definition	A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples.

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

Secondary ChEBI IDs	CHEBI:43829, CHEBI:887, CHEBI:11857, CHEBI:20127

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Formula

C7H8O2

Net Charge

Average Mass

124.13722

Monoisotopic Mass

124.05243

InChI

InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3

InChIKey

PGSWEKYNAOWQDF-UHFFFAOYSA-N

SMILES

Cc1cccc(O)c1O

Roles Classification
Biological Role(s):	bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.

ChEBI Ontology
Outgoing	3-methylcatechol (CHEBI:18404) has role bacterial xenobiotic metabolite (CHEBI:76976) 3-methylcatechol (CHEBI:18404) is a methylcatechol (CHEBI:25289)

Incoming	4-chloro-3-methylcatechol (CHEBI:142282) has functional parent 3-methylcatechol (CHEBI:18404)

IUPAC Name

3-methylbenzene-1,2-diol

Last Modified

04 August 2015