CDK     1030232202

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.9235    1.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389    0.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5257    1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9674    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7411    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6972    2.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827   -0.0770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5696    0.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7347   -0.6900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552   -0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    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  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  7  4  1  1  0  0  0 
  5  8  1  0  0  0  0 
  9  7  1  0  0  0  0 
 10  7  1  0  0  0  0 
  9 11  1  1  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 10 14  1  1  0  0  0 
 11 15  1  0  0  0  0 
 11 16  1  0  0  0  0 
  7  8  1  0  0  0  0 
 12 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:219370

> <NAME>
Tricho-acorenol

> <STAR>
2

> <IUPAC_NAME>
(1S,4S,5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-ol

> <FORMULA>
C15H26O

> <MASS>
222.372

> <MONOISOTOPIC_MASS>
222.19837

> <CHARGE>
0

> <SMILES>
OC1C(=CC[C@@]2(C1)[C@H](C(C)C)CC[C@@H]2C)C

> <INCHI>
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-14,16H,5-6,8-9H2,1-4H3/t12-,13-,14?,15-/m0/s1

> <INCHIKEY>
WBVRKDUUNZBZET-NZATWWQASA-N

$$$$