Ketcher 01301715072D 1   1.00000     0.00000     0

 10 10  0     1  0            999 V2000
   10.4700   -3.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7380   -2.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0059   -3.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7380   -5.4775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6040   -3.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6040   -4.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7380   -3.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720   -3.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720   -4.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4700   -5.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6     0  0
  7  2  1  6     0  0
  8  3  1  1     0  0
  4  6  1  0     0  0
  4  9  1  0     0  0
  5  6  1  0     0  0
  5  7  1  0     0  0
  6 10  1  6     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
M  END
> <ID>
CHEBI:132866

> <NAME>
deoxyfuconojirimycin

> <DEFINITION>
A hydroxypiperidine in which the three hydroxy substituents are located at positions 3, 4 and 5 together with an additional methyl substituent at position 2.

> <STAR>
3

> <SYNONYM>
1,5-Dideoxy-1,5-iminofucitol; 1,2,6-Trideoxy-2,6-imino-D-galactitol

> <IUPAC_NAME>
(2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol

> <FORMULA>
C6H13NO3

> <MASS>
147.173

> <MONOISOTOPIC_MASS>
147.08954

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1

> <INCHIKEY>
VYOCYWDJTQRZLC-KCDKBNATSA-N

> <CAS_REGISTRY_NUMBER>
99212-30-3

> <REAXYS_REGISTRY_NUMBER>
4174699

> <CHEMIDPLUS>
99212-30-3

> <PUBMED_CITATION>
23994295; 27984201

$$$$