CDK     1029232201

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0062    1.4440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5076    0.7987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2032    1.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3082    0.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5379   -0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3881   -0.8198    0.0000 C   0  0  1  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
    1.8399    0.7176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6906   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3080   -0.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4388   -1.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2989   -0.2391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0008   -0.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0 
  3  2  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  1  0  0  0  0 
  7  3  1  0  0  0  0 
  3  8  1  6  0  0  0 
  9  4  1  1  0  0  0 
  6 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  6  0  0  0 
 13  7  1  0  0  0  0 
 13 14  1  6  0  0  0 
  6  9  1  0  0  0  0 
  9 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:202676

> <NAME>
2-methyl-2,5,6-bornantriol

> <STAR>
2

> <IUPAC_NAME>
(1R,2S,3R,4S,5R)-4,5,7,7-tetramethylbicyclo[2.2.1]heptane-2,3,5-triol

> <FORMULA>
C11H20O3

> <MASS>
200.278

> <MONOISOTOPIC_MASS>
200.14124

> <CHARGE>
0

> <SMILES>
O[C@]1([C@]2(C(C)(C)[C@@H](C1)[C@@H]([C@@H]2O)O)C)C

> <INCHI>
InChI=1S/C11H20O3/c1-9(2)6-5-10(3,14)11(9,4)8(13)7(6)12/h6-8,12-14H,5H2,1-4H3/t6-,7-,8-,10+,11+/m0/s1

> <INCHIKEY>
GRLGJKOBRSOQMC-MZFCOBPBSA-N

$$$$