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Concept information

Preferred term

emodacidamide a  

Type

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

Broader concept

charge

  • 0

formula

  • C21H19NO8

inchi

  • InChI=1S/C21H19NO8/c1-8(2)17(21(29)30-3)22-20(28)9-4-11-15(13(24)5-9)19(27)16-12(18(11)26)6-10(23)7-14(16)25/h4-8,17,23-25H,1-3H3,(H,22,28)/t17-/m0/s1

inchikey

  • MJPQABXBKRQYAG-KRWDZBQOSA-N

mass

  • 413.382

monoisotopicmass

  • 413.11107

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207623

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