CDK     1018121544

 26 27  0  0  0  0  0  0  0  0999 V2000
    5.6805  -23.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656  -23.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2549  -23.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400  -23.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8293  -23.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144  -23.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995  -23.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6847  -23.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260  -23.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7409  -23.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4558  -23.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805  -24.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3953  -23.2665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665  -23.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8813  -23.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920  -23.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920  -22.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8813  -22.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665  -22.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8638  -22.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3798  -23.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3798  -22.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1102  -23.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8209  -23.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8209  -22.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5358  -23.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
  1 12  2  0  0  0  0 
  1 13  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 14 19  2  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 16 21  1  0  0  0  0 
 17 22  1  0  0  0  0 
 11 14  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 13 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:70104

> <NAME>
(2E,4E,8E)-N-isobutyl-11-(3,4-methylenedioxyphenyl)undeca-2,4,8-trienamide

> <DEFINITION>
A natural product found in Piper boehmeriaefolium. 

> <STAR>
2

> <FORMULA>
C22H29NO3

> <MASS>
355.47060

> <MONOISOTOPIC_MASS>
355.21474

> <CHARGE>
0

> <SMILES>
CC(C)CNC(=O)\C=C\C=C\CC\C=C\CCc1ccc2OCOc2c1

> <INCHI>
InChI=1S/C22H29NO3/c1-18(2)16-23-22(24)12-10-8-6-4-3-5-7-9-11-19-13-14-20-21(15-19)26-17-25-20/h5-8,10,12-15,18H,3-4,9,11,16-17H2,1-2H3,(H,23,24)/b7-5+,8-6+,12-10+

> <INCHIKEY>
ZDZNXCGHTVJGMU-YBSKXHOQSA-N

> <PUBMED_CITATION>
21158422

$$$$