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Concept information

Preferred term

SM 17466  

Type

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

Broader concept

charge

  • +1

formula

  • C20H21N4O5S2

inchi

  • InChI=1S/C20H20N4O5S2/c1-9-15-14(10(2)25)18(27)24(15)16(19(28)29)17(9)31-20-22-12(8-30-20)11-3-5-23(6-4-11)7-13(21)26/h3-6,8-10,14-15,25H,7H2,1-2H3,(H2-,21,26,28,29)/p+1/t9-,10-,14-,15-/m1/s1

inchikey

  • RRTBMNWYYYTAEH-XEQNPHJVSA-O

mass

  • 461.537

monoisotopicmass

  • 461.09479

smiles

  • C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc(cs3)-c3cc[n+](CC(N)=O)cc3)=C(N2C1=O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • SM-17466

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29675

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