141557
  CDK     0908232200

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.5640   -0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768   -0.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.6500    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 
  1  7  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  2  0  0  0  0 
  6  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 11  2  0  0  0  0 
M  END
> <ID>
CHEBI:197267

> <NAME>
1,2,3,4-tetrahydro-2,5,8-trimethyl naphthalene

> <STAR>
2

> <IUPAC_NAME>
2,5,8-trimethyl-1,2,3,4-tetrahydronaphthalene

> <FORMULA>
C13H18

> <MASS>
174.287

> <MONOISOTOPIC_MASS>
174.14085

> <CHARGE>
0

> <SMILES>
C1(CCC=2C(C1)=C(C=CC2C)C)C

> <INCHI>
InChI=1S/C13H18/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h5-6,9H,4,7-8H2,1-3H3

> <INCHIKEY>
CMWCSSCXHBQEPX-UHFFFAOYSA-N

$$$$