5275727
  CDK     0110240941

 21 21  0  0  0  0  0  0  0  0999 V2000
    7.0944   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    3.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    3.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -4.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    4.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3 18  1  0  0  0  0 
  3 21  1  0  0  0  0 
  4 20  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  2  0  0  0  0 
 18 20  2  0  0  0  0 
 19 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:229029

> <NAME>
6-Gingediol

> <STAR>
2

> <IUPAC_NAME>
1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol

> <FORMULA>
C17H28O4

> <MASS>
296.407

> <MONOISOTOPIC_MASS>
296.19876

> <CHARGE>
0

> <SMILES>
OC(CC(O)CCC1=CC(OC)=C(O)C=C1)CCCCC

> <INCHI>
InChI=1S/C17H28O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3

> <INCHIKEY>
QYXKQNMJTHPKBP-UHFFFAOYSA-N

$$$$