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Concept information

Preferred term

12beta-deoxygonyautoxin 3  

Type

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

Broader concept

charge

  • +1

formula

  • C10H18N7O7S

inchi

  • InChI=1S/C10H17N7O7S/c11-7-15-5-3(2-23-9(13)19)14-8(12)17-1-4(24-25(20,21)22)6(18)10(5,17)16-7/h3-6,18H,1-2H2,(H8,11,12,13,14,15,16,19,20,21,22)/p+1/t3-,4-,5+,6+,10-/m0/s1

inchikey

  • CMLIMTOXQQYXEA-WMTVMBERSA-O

mass

  • 380.360

monoisotopicmass

  • 380.09829

smiles

  • S(=O)(=O)(O[C@@H]1[C@@H](O)[C@]23NC(N)=N[C@@H]2[C@H](COC(=O)N)NC(=[N+]3C1)N)O

subset

  • 2_STAR

synonym EXACT

  • [(3aR,4R,9S,10S,10aS)-2,6-diamino-10-hydroxy-9-sulooxy-3a,4,5,8,9,10-hexahydro-1H-pyrrolo[1,2-c]purin-7-ium-4-yl]methyl carbamate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214714

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