Ketcher 07202208542D 1   1.00000     0.00000     0

 16 15  0     0  0            999 V2000
    3.3039    0.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379    0.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7058    0.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7583    0.2424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5719    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -0.7576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1699    0.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0360    0.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  6  9  1  6     0  0
  5 10  1  1     0  0
  4 11  1  6     0  0
  3 12  1  1     0  0
  2 13  1  1     0  0
  1 14  1  0     0  0
 14 15  1  0     0  0
  1 16  2  0     0  0
M  END
> <ID>
CHEBI:192770

> <NAME>
D-glycero-D-altro-octulose

> <STAR>
2

> <FORMULA>
C8H16O8

> <MASS>
240.208

> <MONOISOTOPIC_MASS>
240.08452

> <CHARGE>
0

> <SMILES>
C([C@H]([C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O)O)(CO)=O

> <INCHI>
InChI=1S/C8H16O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3,5-11,13-16H,1-2H2/t3-,5-,6-,7-,8+/m1/s1

> <INCHIKEY>
KSHYQYHHIKNYAY-LRLCYJNCSA-N

> <PUBMED_CITATION>
1137846

$$$$