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Concept information

Preferred term

emodacidamide c  

Type

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

Broader concept

charge

  • 0

formula

  • C20H16ClNO8

inchi

  • InChI=1S/C20H16ClNO8/c1-6(2)15(20(29)30)22-19(28)7-3-8-12(10(23)4-7)17(26)13-9(16(8)25)5-11(24)14(21)18(13)27/h3-6,15,23-24,27H,1-2H3,(H,22,28)(H,29,30)/t15-/m0/s1

inchikey

  • AVIVKUDKCMVAOA-HNNXBMFYSA-N

mass

  • 433.800

monoisotopicmass

  • 433.05644

smiles

  • ClC1=C(O)C=2C(=O)C3=C(O)C=C(C(=O)N[C@H](C(=O)O)C(C)C)C=C3C(C2C=C1O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(6-chloro-4,5,7-trihydroxy-9,10-dioxoanthracene-2-carbonyl)amino]-3-methylbutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207634

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