Crystal violet lactone (CHEBI:189210)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Crystal violet lactone

ChEBI ID	CHEBI:189210

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C26H29N3O2

Net Charge

Average Mass

415.537

Monoisotopic Mass

415.22598

InChI

InChI=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

InChIKey

IPAJDLMMTVZVPP-UHFFFAOYSA-N

SMILES

O1C(C2=C(C1=O)C=C(N(C)C)C=C2)(C3=CC=C(N(C)C)C=C3)C4=CC=C(N(C)C)C=C4

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in leaf (BTO:0000713). See: MetaboLights Study

ChEBI Ontology
Outgoing	Crystal violet lactone (CHEBI:189210) is a benzofurans (CHEBI:35259)

IUPAC Name

6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzouran-1-one

Registry Number	Type	Source
1552-42-7	CAS Registry Number	ChemIDplus

Last Modified

07 August 2023