71453066
  CDK     0118221227

 19 18  0  0  0  0  0  0  0  0999 V2000
    2.0930    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8075    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8089    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0 
  2 11  1  0  0  0  0 
  2 19  1  0  0  0  0 
  3 16  2  0  0  0  0 
  4  6  1  0  0  0  0 
  5  6  2  0  0  0  0 
  7  5  1  0  0  0  0 
  6 17  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7 11  1  1  0  0  0 
  8 14  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 15 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
M  CHG  1   4  -1
M  CHG  1   6   1
M  END
> <ID>
CHEBI:189249

> <NAME>
Elaiomycin D

> <STAR>
2

> <IUPAC_NAME>
[(2S,3S)-3-hydroxy-1-methoxybutan-2-yl]imino-oxido-[(E)-7-oxooct-1-enyl]azanium

> <FORMULA>
C13H24N2O4

> <MASS>
272.345

> <MONOISOTOPIC_MASS>
272.17361

> <CHARGE>
0

> <SMILES>
O[C@H]([C@@H](/N=[N+](\[O-])/C=C/CCCCC(=O)C)COC)C

> <INCHI>
InChI=1S/C13H24N2O4/c1-11(16)8-6-4-5-7-9-15(18)14-13(10-19-3)12(2)17/h7,9,12-13,17H,4-6,8,10H2,1-3H3/b9-7+,15-14-/t12-,13-/m0/s1

> <INCHIKEY>
BRLWDWOZGPKZAD-XLTRDJIWSA-N

$$$$