5317587
  CDK     0409211652

 27 27  0  0  0  0  0  0  0  0999 V2000
    5.2223   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0802    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1 18  1  0  0  0  0 
  2  9  1  0  0  0  0 
  2 20  1  0  0  0  0 
  3 18  2  0  0  0  0 
  4 20  2  0  0  0  0 
  5 22  1  0  0  0  0 
  5 27  1  0  0  0  0 
  6 25  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 15 17  1  0  0  0  0 
 16 19  2  0  0  0  0 
 16 21  1  0  0  0  0 
 18 24  1  0  0  0  0 
 19 22  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 23  2  0  0  0  0 
 22 25  2  0  0  0  0 
 23 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:169730

> <NAME>
[6]-Gingerdiol 3,5-diacetate

> <STAR>
2

> <IUPAC_NAME>
[3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate

> <FORMULA>
C21H32O6

> <MASS>
380.481

> <MONOISOTOPIC_MASS>
380.21989

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3

> <INCHIKEY>
PXBFKEHWQRAQQD-UHFFFAOYSA-N

$$$$