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Concept information

Preferred term

(2S،5S) 5 آمینو 4 اکسو 1،2،،،6،7 هگزا هیدروازپینو[3،، hi]ایندول کربوکسیلیک اسید  

Type

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

charge

  • 0

formula

  • C13H14N2O3

has_functional_parent

inchi

  • InChI=1S/C13H14N2O3/c14-9-5-4-7-2-1-3-8-6-10(13(17)18)15(11(7)8)12(9)16/h1-3,9-10H,4-6,14H2,(H,17,18)/t9-,10-/m0/s1

inchikey

  • KCYCGNHQFGTGSS-UWVGGRQHSA-N

mass

  • 246.266

monoisotopicmass

  • 246.10044

smiles

  • N[C@H]1CCC2=CC=CC3=C2N([C@@H](C3)C(O)=O)C1=O

subset

  • 3_STAR

synonym EXACT

  • (2S,5S)-5-amino-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indole-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:42941

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