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Concept information

Preferred term

PM 94128  

Type

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

charge

  • 0

formula

  • C22H34N2O6

inchi

  • InChI=1S/C22H34N2O6/c1-11(2)8-14(23)19(26)20(27)21(28)24-15(9-12(3)4)17-10-13-6-5-7-16(25)18(13)22(29)30-17/h5-7,11-12,14-15,17,19-20,25-27H,8-10,23H2,1-4H3,(H,24,28)/t14-,15-,17-,19-,20-/m0/s1

inchikey

  • ZGMSHKBULLTJHQ-UHBFJLORSA-N

mass

  • 422.51520

monoisotopicmass

  • 422.24169

smiles

  • [H][C@]1(Cc2cccc(O)c2C(=O)O1)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(C)C

subset

  • 3_STAR

synonym EXACT

  • (2S,3S,4S)-4-amino-2,3-dihydroxy-N-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}-6-methylheptanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66766

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