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Concept information

Preferred term

decarbamoylgonyautoxin-2  

Type

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

charge

  • 0

formula

  • C9H16N6O7S

inchi

  • InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)/t3-,4+,5-,8-/m0/s1

inchikey

  • AJLCXXKDNUGKKH-WVBYAZCYSA-N

mass

  • 352.320

monoisotopicmass

  • 352.08012

smiles

  • S(=O)(=O)(O[C@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](CO)N=C(N3C1)N)O

subset

  • 2_STAR

synonym EXACT

  • [(3aS,4R,9R,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212428

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