CDK     1030232200

 21 21  0  0  0  0  0  0  0  0999 V2000
    7.7360    0.2775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3235    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1840   -0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5166    0.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9910    1.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2373    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9291   -1.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7360   -0.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    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  1  0  0  0  0  0  0  0  0  0
    1.0165   -1.1270    0.0000 O   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
    1.8415   -1.1270    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 
  1  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  3  8  1  0  0  0  0 
  3  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  3  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 17 16  1  0  0  0  0 
 17 18  1  1  0  0  0 
 17 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 19 21  2  0  0  0  0 
  4  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:205949

> <NAME>
3,7-dimethyl-9-(-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol

> <STAR>
2

> <IUPAC_NAME>
(3R)-3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol

> <FORMULA>
C18H32O3

> <MASS>
296.451

> <MONOISOTOPIC_MASS>
296.23514

> <CHARGE>
0

> <SMILES>
O1C(OC(C1(C)C)CCC(=CCC[C@@](O)(C=C)C)C)(C)C

> <INCHI>
InChI=1S/C18H32O3/c1-8-18(7,19)13-9-10-14(2)11-12-15-16(3,4)21-17(5,6)20-15/h8,10,15,19H,1,9,11-13H2,2-7H3/t15?,18-/m0/s1

> <INCHIKEY>
PMQKDUOLNIZGFG-PKHIMPSTSA-N

$$$$