1,2,3-trimethylbenzene (CHEBI:34037)

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ChEBI Name	1,2,3-trimethylbenzene

ChEBI ID	CHEBI:34037

Definition	A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea.

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

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Formula

C9H12

Net Charge

Average Mass

120.19158

Monoisotopic Mass

120.09390

InChI

InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3

InChIKey

FYGHSUNMUKGBRK-UHFFFAOYSA-N

SMILES

Cc1cccc(C)c1C

Roles Classification
Biological Role(s):	neurotoxin A poison that interferes with the functions of the nervous system. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	1,2,3-trimethylbenzene (CHEBI:34037) has role neurotoxin (CHEBI:50910) 1,2,3-trimethylbenzene (CHEBI:34037) has role plant metabolite (CHEBI:76924) 1,2,3-trimethylbenzene (CHEBI:34037) is a trimethylbenzene (CHEBI:38641)

Incoming	3,4,5-trimethylphenol (CHEBI:38896) has parent hydride 1,2,3-trimethylbenzene (CHEBI:34037)

IUPAC Name

1,2,3-trimethylbenzene

Last Modified

23 October 2015