CDK     1030232201

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.7159   -1.2375    0.0000 O   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
    6.4304    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4304    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2869   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0014    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2869   -1.2375    0.0000 O   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
    6.1284    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580   -0.4125    0.0000 C   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
    0.0000   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  4  2  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  7  4  1  0  0  0  0 
  4  8  1  6  0  0  0 
  5  9  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  1  1  0  0  0 
  7 12  1  0  0  0  0 
 10 13  1  6  0  0  0 
 10 14  1  0  0  0  0 
 12 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  8 10  1  0  0  0  0 
M  END
> <ID>
CHEBI:213819

> <NAME>
Saturnispol E

> <STAR>
2

> <IUPAC_NAME>
(4S,6S)-6-[(1S,2E,4E)-1,6-dihydroxyhexa-2,4-dienyl]-3,4-dihydroxy-2,4-dimethylcyclohex-2-en-1-one

> <FORMULA>
C14H20O5

> <MASS>
268.309

> <MONOISOTOPIC_MASS>
268.13107

> <CHARGE>
0

> <SMILES>
O=C1C(=C(O)[C@](O)(C)C[C@H]1[C@@H](O)/C=C/C=C/CO)C

> <INCHI>
InChI=1S/C14H20O5/c1-9-12(17)10(8-14(2,19)13(9)18)11(16)6-4-3-5-7-15/h3-6,10-11,15-16,18-19H,7-8H2,1-2H3/b5-3+,6-4+/t10-,11-,14-/m0/s1

> <INCHIKEY>
WRUJBTZLBJOFTK-AKSDXRFJSA-N

$$$$