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CHEBI:183731 - 2,2-dimethyl-6,7-di[(4-nitrobenzyl)oxy]chroman-4-one

ChEBI IDCHEBI:183731
ChEBI Name2,2-dimethyl-6,7-di[(4-nitrobenzyl)oxy]chroman-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22N2O8
Net Charge0
Average Mass478.457
Monoisotopic Mass478.13762
SMILESCC1(C)CC(=O)c2cc(OCc3ccc([N+](=O)[O-])cc3)c(OCc3ccc([N+](=O)[O-])cc3)cc2O1
InChIInChI=1S/C25H22N2O8/c1-25(2)13-21(28)20-11-23(33-14-16-3-7-18(8-4-16)26(29)30)24(12-22(20)35-25)34-15-17-5-9-19(10-6-17)27(31)32/h3-12H,13-15H2,1-2H3
InChIKeySFFUCPMHRHXGSK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
2,2-dimethyl-6,7-di[(4-nitrobenzyl)oxy]chroman-4-one (CHEBI:183731) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
2,2-dimethyl-6,7-bis[(4-nitrophenyl)methoxy]-3H-chromen-4-one
Manual XrefsDatabases
2010599ChemSpider