60208849
  CDK     1019211303

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.1487    0.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    1.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8680   -0.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6884   -1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -0.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6884    0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4359   -0.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4359    0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950   -0.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200    1.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6788    1.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8648    0.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5777    0.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0 
  1 19  1  0  0  0  0 
  2 13  1  0  0  0  0 
  3 19  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  7  1  0  0  0  0 
  4  9  1  0  0  0  0 
  4 14  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5 11  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 13  1  0  0  0  0 
  7 10  1  0  0  0  0 
  9 12  1  0  0  0  0 
 11 15  1  0  0  0  0 
 11 18  2  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:181588

> <NAME>
[7-(2-hydroxypropan-2-yl)-4a-methyl-1-methylidene-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] acetate

> <STAR>
2

> <IUPAC_NAME>
[7-(2-hydroxypropan-2-yl)-4a-methyl-1-methylidene-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] acetate

> <FORMULA>
C17H28O3

> <MASS>
280.408

> <MONOISOTOPIC_MASS>
280.20384

> <CHARGE>
0

> <SMILES>
O(C1C(C2C(CCC(C2)C(O)(C)C)(CC1)C)=C)C(=O)C

> <INCHI>
InChI=1S/C17H28O3/c1-11-14-10-13(16(3,4)19)6-8-17(14,5)9-7-15(11)20-12(2)18/h13-15,19H,1,6-10H2,2-5H3

> <INCHIKEY>
ZWIVVTOKXTZAOT-UHFFFAOYSA-N

$$$$