(1S,2R,3S,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexan-1-aminium
  CDK    2/12/10,15:26

 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.2500    1.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1789    0.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6789    0.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1789    1.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6789    1.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500    2.8063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0 
  1  6  1  0  0  0  0 
 10  4  1  0  0  0  0 
  4  8  1  0  0  0  0 
  8  2  1  0  0  0  0 
  2  6  1  0  0  0  0 
  1 12  1  1  0  0  0 
  2  3  1  1  0  0  0 
  4  5  1  1  0  0  0 
  6  7  1  6  0  0  0 
  8  9  1  6  0  0  0 
 10 11  1  6  0  0  0 
M  CHG  1  12   1
M  END
> <ID>
CHEBI:57671

> <NAME>
1-ammonio-1-deoxy-scyllo-inositol

> <DEFINITION>
The conjugate acid of 1-amino-1-deoxy-scyllo-inositol arising from protonation of the primary amino group.

> <STAR>
3

> <SYNONYM>
1-amino-1-deoxy-scyllo-inositol

> <IUPAC_NAME>
1-azaniumyl-1-deoxy-scyllo-inositol

> <FORMULA>
C6H14NO5

> <MASS>
180.17910

> <MONOISOTOPIC_MASS>
180.08720

> <CHARGE>
1

> <SMILES>
[NH3+][C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2/p+1/t1-,2-,3+,4+,5-,6-

> <INCHIKEY>
JXAOTICXQLILTC-CDRYSYESSA-O

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