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Concept information

Preferred term

کربوکسیلات SN 38  

Type

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

charge

  • -1

formula

  • C22H21N2O6

inchi

  • InChI=1S/C22H22N2O6/c1-3-12-13-7-11(26)5-6-17(13)23-19-14(12)9-24-18(19)8-16(15(10-25)20(24)27)22(30,4-2)21(28)29/h5-8,25-26,30H,3-4,9-10H2,1-2H3,(H,28,29)/p-1/t22-/m0/s1

inchikey

  • IRKZFHZUIBLGKU-QFIPXVFZSA-M

mass

  • 409.419

monoisotopicmass

  • 409.14051

smiles

  • C1(C(=C(C=C2C3=C(CN12)C(=C4C(=N3)C=CC(=C4)O)CC)[C@@](C(=O)[O-])(O)CC)CO)=O

subset

  • 3_STAR

synonym EXACT

  • (2S)-2-[12-ethyl-2-hydroxy-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:8989

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