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CHEBI:180600 - 2-(Diethylamino)-3,6-dinitro-4H-1-benzopyran-4-one

ChEBI IDCHEBI:180600
ChEBI Name2-(Diethylamino)-3,6-dinitro-4H-1-benzopyran-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13N3O6
Net Charge0
Average Mass307.262
Monoisotopic Mass307.08044
SMILESCCN(CC)c1oc2ccc([N+](=O)[O-])cc2c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O6/c1-3-14(4-2)13-11(16(20)21)12(17)9-7-8(15(18)19)5-6-10(9)22-13/h5-7H,3-4H2,1-2H3
InChIKeyNGBNCODCCUIZFF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
ChEBI Ontology
Outgoing Relation(s)
2-(Diethylamino)-3,6-dinitro-4H-1-benzopyran-4-one (CHEBI:180600) is a chromones (CHEBI:23238)
IUPAC Name 
2-(diethylamino)-3,6-dinitrochromen-4-one
Manual XrefsDatabases
28693644ChemSpider