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CHEBI:221114 - Corynecin III

ChEBI IDCHEBI:221114
ChEBI NameCorynecin III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18N2O5
Net Charge0
Average Mass282.296
Monoisotopic Mass282.12157
SMILESCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O5/c1-8(2)13(18)14-11(7-16)12(17)9-3-5-10(6-4-9)15(19)20/h3-6,8,11-12,16-17H,7H2,1-2H3,(H,14,18)/t11-,12-/m1/s1
InChIKeyIUBVSPMUTLUQHL-VXGBXAGGSA-N
Species of MetaboliteComponentSourceComments
Corynebacteriumspecies (ncbitaxon:1720) - DOI (10.1080/00021369.1972.10860526)
ChEBI Ontology
Outgoing Relation(s)
Corynecin III (CHEBI:221114) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-methylpropanamide
Manual XrefsDatabases
68004070ChemSpider