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CHEBI:221118 - Corynecin V

ChEBI IDCHEBI:221118
ChEBI NameCorynecin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18N2O6
Net Charge0
Average Mass310.306
Monoisotopic Mass310.11649
SMILESCCC(=O)N[C@H](COC(C)=O)[C@H](O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H18N2O6/c1-3-13(18)15-12(8-22-9(2)17)14(19)10-4-6-11(7-5-10)16(20)21/h4-7,12,14,19H,3,8H2,1-2H3,(H,15,18)/t12-,14-/m1/s1
InChIKeyJOPRUKVGIPMAMF-TZMCWYRMSA-N
Species of MetaboliteComponentSourceComments
Corynebacteriumspecies (ncbitaxon:1720) - DOI (10.1080/00021369.1972.10860526)
ChEBI Ontology
Outgoing Relation(s)
Corynecin V (CHEBI:221118) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
[(2R,3R)-3-hydroxy-3-(4-nitrophenyl)-2-(propanoylamino)propyl] acetate
Manual XrefsDatabases
71117183ChemSpider