CHEBI:34037 - 1,2,3-trimethylbenzene

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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 0
Average Mass 120.19158
Monoisotopic Mass 120.094
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.
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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)
IUPAC Name
1,2,3-trimethylbenzene
Synonyms Sources
1,2,3-Trimethylbenzene KEGG COMPOUND
hemellitol ChemIDplus
Hemimellitene KEGG COMPOUND
hemimellitol ChemIDplus
Manual Xrefs Databases
1,2,3-Trimethylbenzene Wikipedia
C14518 KEGG COMPOUND
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
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11109746 PubMed citation Europe PMC
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Last Modified
23 October 2015