CHEBI:168902 - dehydronifedipine

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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 dehydronifedipine
ChEBI ID CHEBI:168902
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H16N2O6
Net Charge 0
Average Mass 344.323
Monoisotopic Mass 344.10084
InChI InChI=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
InChIKey UMQHJQGNGLQJPF-UHFFFAOYSA-N
SMILES O(C(=O)C1=C(C(=C(N=C1C)C)C(OC)=O)C=2C([N+]([O-])=O)=CC=CC2)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing dehydronifedipine (CHEBI:168902) is a phenylpyridine (CHEBI:38193)
IUPAC Name
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate
Manual Xrefs Databases
114101 ChemSpider
HMDB0061041 HMDB
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Registry Number Type Source
67035-22-7 CAS Registry Number ChemIDplus