CDK     1030232201

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.1270    0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.7144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1645    0.9526    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4020    1.6671    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6665    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5770    1.6671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6605    0.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8145    2.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  4  2  1  0  0  0  0 
  5  2  1  0  0  0  0 
  2  6  1  0  0  0  0 
  7  3  1  0  0  0  0 
  8  3  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4 10  1  0  0  0  0 
  4 11  1  6  0  0  0 
  5 12  1  0  0  0  0 
  5 13  1  1  0  0  0 
  7 14  1  1  0  0  0 
  8 15  1  6  0  0  0 
  7 10  1  0  0  0  0 
  8 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:212444

> <NAME>
(1S*,2R*,4R*,5S*,6R*,8R*)-1,2,4,5,6,8-hexamethyl-3,7,9-trioxabicyclo[3.3.1]nonane

> <STAR>
2

> <IUPAC_NAME>
(2R,4R,6R,8R)-1,2,4,5,6,8-hexamethyl-3,7,9-trioxabicyclo[3.3.1]nonane

> <FORMULA>
C12H22O3

> <MASS>
214.305

> <MONOISOTOPIC_MASS>
214.15689

> <CHARGE>
0

> <SMILES>
O1C2([C@H](O[C@@H](C1([C@@H](C)O[C@@H]2C)C)C)C)C

> <INCHI>
InChI=1S/C12H22O3/c1-7-11(5)8(2)14-10(4)12(6,15-11)9(3)13-7/h7-10H,1-6H3/t7-,8-,9-,10-,11?,12?/m1/s1

> <INCHIKEY>
HBDIROQUYXUXPI-NPHMWHLUSA-N

$$$$