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CHEBI:168902 - dehydronifedipine

ChEBI IDCHEBI:168902
ChEBI Namedehydronifedipine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16N2O6
Net Charge0
Average Mass344.323
Monoisotopic Mass344.10084
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3
InChIKeyUMQHJQGNGLQJPF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
dehydronifedipine (CHEBI:168902) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate
Manual XrefsDatabases
114101ChemSpider
HMDB0061041HMDB
Registry NumbersSources
CAS:67035-22-7ChemIDplus