219890
  CDK     1106201723

 16 15  0  0  0  0  0  0  0  0999 V2000
    4.9509   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3 11  1  0  0  0  0 
  4 12  1  0  0  0  0 
  5 13  1  0  0  0  0 
  6 14  1  0  0  0  0 
  7 15  1  0  0  0  0 
  8 16  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:165245

> <NAME>
D-Erythro-D-galacto-octitol

> <STAR>
2

> <IUPAC_NAME>
octane-1,2,3,4,5,6,7,8-octol

> <FORMULA>
C8H18O8

> <MASS>
242.224

> <MONOISOTOPIC_MASS>
242.10017

> <CHARGE>
0

> <SMILES>
OC(C(O)C(O)C(O)CO)C(O)C(O)CO

> <INCHI>
InChI=1S/C8H18O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3-16H,1-2H2

> <INCHIKEY>
DRDSDQVQSRICML-UHFFFAOYSA-N

$$$$