Ketcher 01122413172D 1   1.00000     0.00000     0

 18 18  0     1  0            999 V2000
   15.7092   -5.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7092   -6.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8431   -5.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8431   -7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9771   -5.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9771   -6.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5751   -5.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1111   -5.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8431   -8.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1111   -7.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5751   -7.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1082   -4.0963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4456   -5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3078   -5.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1777   -5.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0398   -5.0712    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   19.1848   -6.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3129   -4.0843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  1  7  1  1     0  0
  5  8  1  1     0  0
  4  9  1  1     0  0
  6 10  1  6     0  0
  2 11  1  6     0  0
  8 12  1  0     0  0
  7 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 15 17  1  1     0  0
 14 18  1  6     0  0
M  CHG  1  18   1
M  END
> <ID>
CHEBI:229211

> <NAME>
beta-D-glucosylsphingoid base

> <STAR>
2

> <SYNONYM>
GlcSPB; a  beta-D-glucosyll-(1<->1')-sphingoid base

> <FORMULA>
C9H19NO7R

> <MASS>
253.250

> <MONOISOTOPIC_MASS>
253.11615

> <CHARGE>
1

> <SMILES>
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@@H]([C@@H](*)O)[NH3+]

$$$$