Corynecin V (CHEBI:221118)

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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	Corynecin V

ChEBI ID	CHEBI:221118

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18N2O6

Net Charge

Average Mass

310.306

Monoisotopic Mass

310.11649

InChI

InChI=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

InChIKey

JOPRUKVGIPMAMF-TZMCWYRMSA-N

SMILES

O=[N+]([O-])C1=CC=C([C@@H](O)[C@H](NC(=O)CC)COC(=O)C)C=C1

Metabolite of Species	Details
Corynebacteriumspecies (NCBI:txid1720)	See: DOI

ChEBI Ontology
Outgoing	Corynecin V (CHEBI:221118) is a C-nitro compound (CHEBI:35716)

IUPAC Name

[(2R,3R)-3-hydroxy-3-(4-nitrophenyl)-2-(propanoylamino)propyl] acetate