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CHEBI:34037 - 1,2,3-trimethylbenzene

ChEBI IDCHEBI:34037
ChEBI Name1,2,3-trimethylbenzene
Stars
DefinitionA trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea.
Last Modified23 October 2015
DownloadsMolfile
FormulaC9H12
Net Charge0
Average Mass120.195
Monoisotopic Mass120.09390
SMILESCc1cccc(C)c1C
InChIInChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
InChIKeyFYGHSUNMUKGBRK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
neurotoxin  A poison that interferes with the functions of the nervous system.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
3,4,5-trimethylphenol (CHEBI:38896) has parent hydride 1,2,3-trimethylbenzene (CHEBI:34037)
IUPAC Name 
1,2,3-trimethylbenzene
Synonyms  Source
1,2,3-TrimethylbenzeneKEGG COMPOUND
HemimelliteneKEGG COMPOUND
hemellitolChemIDplus
hemimellitolChemIDplus
Manual XrefsDatabases
C14518KEGG COMPOUND
HMDB0059901HMDB
1,2,3-TrimethylbenzeneWikipedia
Registry NumbersSources
Gmelin:326517Gmelin
Reaxys:1903410Reaxys
CAS:526-73-8KEGG COMPOUND
CAS:526-73-8NIST Chemistry WebBook
Citations