CDK     1030232201

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0069   -1.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7391   -0.8246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3993   -1.3195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3438    0.5334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0127    0.4337    0.0000 C   0  0  0  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
    1.9782   -1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978   -1.1119    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1533    0.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0309    1.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8678    1.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2082    1.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7588   -2.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5572   -2.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333   -0.3583    0.0000 C   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 
  4  2  1  0  0  0  0 
  5  3  1  0  0  0  0 
  3  6  1  0  0  0  0 
  3  7  1  6  0  0  0 
  4  8  1  1  0  0  0 
  9  4  1  0  0  0  0 
  5 10  1  0  0  0  0 
  5 11  1  0  0  0  0 
  5 12  1  6  0  0  0 
  6 13  1  0  0  0  0 
  8 14  1  0  0  0  0 
  8 15  1  0  0  0  0 
  9 16  1  1  0  0  0 
  8  9  1  0  0  0  0 
 10 16  1  0  0  0  0 
 11 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:212352

> <NAME>
Neomeranol B

> <STAR>
2

> <IUPAC_NAME>
(1aS,2S,2aS,5aS,7aR)-1,1,2a,5a-tetramethyl-1a,2,3,4,5,6,7,7a-octahydrocyclopropa[]azulen-2-ol

> <FORMULA>
C15H26O

> <MASS>
222.372

> <MONOISOTOPIC_MASS>
222.19837

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@@]2([C@](CC[C@@H]3[C@H]1C3(C)C)(CCC2)C)C

> <INCHI>
InChI=1S/C15H26O/c1-13(2)10-6-9-14(3)7-5-8-15(14,4)12(16)11(10)13/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15-/m1/s1

> <INCHIKEY>
BTBQMFYSHNODBW-RKEKIRQTSA-N

$$$$