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Concept information

Preferred term

emodacidamide b  

Type

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

Broader concept

charge

  • 0

formula

  • C20H17NO8

inchi

  • InChI=1S/C20H17NO8/c1-7(2)16(20(28)29)21-19(27)8-3-10-14(12(23)4-8)18(26)15-11(17(10)25)5-9(22)6-13(15)24/h3-7,16,22-24H,1-2H3,(H,21,27)(H,28,29)/t16-/m0/s1

inchikey

  • UCVOTAWBWPEXMD-INIZCTEOSA-N

mass

  • 399.355

monoisotopicmass

  • 399.09542

smiles

  • O=C1C2=C(O)C=C(O)C=C2C(=O)C=3C1=C(O)C=C(C(=O)N[C@H](C(=O)O)C(C)C)C3

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207628

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