CDK     1030232200

 28 27  0  0  0  0  0  0  0  0999 V2000
   10.7171    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2881    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.4125    0.0000 C   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
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    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
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   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 
  2  4  1  0  0  0  0 
  5  3  1  6  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:208425

> <NAME>
Serinolamide D

> <STAR>
2

> <IUPAC_NAME>
[(2R)-3-methoxy-2-[[(E)-2-methylhexadec-2-enoyl]amino]propyl] acetate

> <FORMULA>
C23H43NO4

> <MASS>
397.600

> <MONOISOTOPIC_MASS>
397.31921

> <CHARGE>
0

> <SMILES>
O=C(N[C@@H](COC(=O)C)COC)/C(=C/CCCCCCCCCCCCC)/C

> <INCHI>
InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)23(26)24-22(18-27-4)19-28-21(3)25/h17,22H,5-16,18-19H2,1-4H3,(H,24,26)/b20-17+/t22-/m1/s1

> <INCHIKEY>
FPCGSXVPELFJGR-YMQJMOIJSA-N

$$$$