Summary

Molecular formula: C9H13N5O6
SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)Nc1ncnc(c1[N+](=O)[O-])N
InChI: InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1
InChIKey: OHEMBWZZEKCBAS-UUOKFMHZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc(NC2CCCO2)ncn1

Scaffold Graph/Node level:
C1COC(NC2CCNCN2)C1

Scaffold Graph level:
C1CCC(CC2CCCC2)CC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic oxygen compounds
Class: Organooxygen compounds
Sub class: Carbohydrates and carbohydrate conjugates

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Synonymous chemical names:
clitocine

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External chemical identifiers:
CID_129111; CAS_105798-74-1; CHEMSPIDER_114380; Molport_MolPort-028-720-527

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Chemical structure download