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CHEBI:228533 - Methyl Violet

ChEBI IDCHEBI:228533
ChEBI NameMethyl Violet
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27N3.HCl
Net Charge0
Average Mass393.962
Monoisotopic Mass393.19718
SMILESCN=C1C=CC(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)C=C1.Cl
InChIInChI=1S/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H
InChIKeyJFTBTTPUYRGXDG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
Methyl Violet (CHEBI:228533) is a diarylmethane (CHEBI:51614)
IUPAC Name 
4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline;hydrochloride
Manual XrefsDatabases
170606ChemSpider