CDK     1029232202

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.9849    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1599    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  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
    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
  2  1  1  6  0  0  0 
  2  3  1  0  0  0  0 
  4  2  1  0  0  0  0 
  2  5  1  0  0  0  0 
  3  6  2  0  0  0  0 
  4  7  1  1  0  0  0 
  4  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:204183

> <NAME>
(3R,4S)-3,7-dimethyl-1,6-octadiene-3,4-diol

> <STAR>
2

> <IUPAC_NAME>
(3R,4S)-3,7-dimethylocta-1,6-diene-3,4-diol

> <FORMULA>
C10H18O2

> <MASS>
170.252

> <MONOISOTOPIC_MASS>
170.13068

> <CHARGE>
0

> <SMILES>
O[C@](C=C)([C@@H](O)CC=C(C)C)C

> <INCHI>
InChI=1S/C10H18O2/c1-5-10(4,12)9(11)7-6-8(2)3/h5-6,9,11-12H,1,7H2,2-4H3/t9-,10+/m0/s1

> <INCHIKEY>
YDGOIHYUXBNION-VHSXEESVSA-N

$$$$