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CHEBI:189210 - Crystal violet lactone

ChEBI IDCHEBI:189210
ChEBI NameCrystal violet lactone
Stars
Last Modified7 August 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O2
Net Charge0
Average Mass415.537
Monoisotopic Mass415.22598
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)cc1
InChIInChI=1S/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3
InChIKeyIPAJDLMMTVZVPP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Crystal violet lactone (CHEBI:189210) is a benzofurans (CHEBI:35259)
IUPAC Name 
6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzouran-1-one
Manual XrefsDatabases
66413ChemSpider
Registry NumbersSources
CAS:1552-42-7ChemIDplus