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CHEBI:192608 - 1,3-benzodioxol-5-yl 2-methyl-6-(trifluoromethyl)nicotinate

ChEBI IDCHEBI:192608
ChEBI Name1,3-benzodioxol-5-yl 2-methyl-6-(trifluoromethyl)nicotinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10F3NO4
Net Charge0
Average Mass325.242
Monoisotopic Mass325.05619
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H10F3NO4/c1-8-10(3-5-13(19-8)15(16,17)18)14(20)23-9-2-4-11-12(6-9)22-7-21-11/h2-6H,7H2,1H3
InChIKeyCDVCZGWAJFQACW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
1,3-benzodioxol-5-yl 2-methyl-6-(trifluoromethyl)nicotinate (CHEBI:192608) is a benzodioxoles (CHEBI:38298)
IUPAC Name 
1,3-benzodioxol-5-yl 2-methyl-6-(triluoromethyl)pyridine-3-carboxylate
Manual XrefsDatabases
2074773ChemSpider