CDK     1023151749

 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0  0  0  0 
  7  6  1  0  0  0  0 
  8  6  1  0  0  0  0 
  9  2  1  0  0  0  0 
  9  3  1  0  0  0  0 
  9  7  2  0  0  0  0 
 10  4  1  6  0  0  0 
 10  5  1  0  0  0  0 
 10  8  1  0  0  0  0 
 10 11  1  1  0  0  0 
M  END
> <ID>
CHEBI:90020

> <NAME>
(S)-3,7-Dimethyl-1,6-octadiene

> <STAR>
2

> <SYNONYM>
(3S)-3,7-dimethylocta-1,6-diene

> <FORMULA>
C10H18

> <MASS>
138.250

> <MONOISOTOPIC_MASS>
138.14085

> <CHARGE>
0

> <SMILES>
C=C[C@@](C)(CCC=C(C)C)[H]

> <INCHI>
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3/t10-/m1/s1

> <INCHIKEY>
FUDNBFMOXDUIIE-SNVBAGLBSA-N

> <PUBMED_CITATION>
17314143; 17614007; 24421258

$$$$