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Concept information

Preferred term

1,4,5,6-tetrahydro-6-oxonicotinate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • -1

formula

  • C6H6NO3

inchi

  • InChI=1S/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h3H,1-2H2,(H,7,8)(H,9,10)/p-1

inchikey

  • SDKCWSUZEUBWLP-UHFFFAOYSA-M

mass

  • 140.11670

monoisotopicmass

  • 140.03532

smiles

  • [O-]C(=O)C1=CNC(=O)CC1

subset

  • 3_STAR

synonym EXACT

  • 1,4,5,6-tetrahydro-6-oxonicotinate
  • 6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:57777

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