5317599
  CDK     0409211652

 27 27  0  0  0  0  0  0  0  0999 V2000
    7.0943    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0943   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0943   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9521   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9521   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0 
  2 17  2  0  0  0  0 
  3 24  1  0  0  0  0 
  3 27  1  0  0  0  0 
  4 26  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  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 17  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 20  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 23 25  2  0  0  0  0 
 24 26  2  0  0  0  0 
 25 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:169737

> <NAME>
[12]-Gingerol

> <STAR>
2

> <IUPAC_NAME>
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)hexadecan-3-one

> <FORMULA>
C23H38O4

> <MASS>
378.553

> <MONOISOTOPIC_MASS>
378.27701

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,20,24,26H,3-13,15,18H2,1-2H3

> <INCHIKEY>
HQXJXOYLPWCMGL-UHFFFAOYSA-N

$$$$