CHEBI:34037 - 1,2,3-trimethylbenzene

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ChEBI Name 1,2,3-trimethylbenzene
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 0
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
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.
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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)
Synonyms Sources
1,2,3-Trimethylbenzene KEGG COMPOUND
hemellitol ChemIDplus
Hemimellitene KEGG COMPOUND
hemimellitol ChemIDplus
Manual Xrefs Databases
1,2,3-Trimethylbenzene Wikipedia
HMDB0059901 HMDB
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Registry Numbers Types Sources
1903410 Beilstein Registry Number ChemIDplus
1903410 Reaxys Registry Number Reaxys
326517 Gmelin Registry Number Gmelin
526-73-8 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
10028199 PubMed citation Europe PMC
11109746 PubMed citation Europe PMC
1129786 PubMed citation Europe PMC
22349896 PubMed citation Europe PMC
23365607 PubMed citation Europe PMC
9117193 PubMed citation Europe PMC
Last Modified
23 October 2015