CDK     1030232201

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.4408   -0.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4408    0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1553    0.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7263    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8698    0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0118    0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2149    0.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7983   -0.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -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
    4.2870   -1.2375    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
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    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
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    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 
  3  5  1  0  0  0  0 
  4  6  2  3  0  0  0 
  6  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  3  0  0  0 
 10 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  0  0  0  0 
 14 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
  8  9  2  0  0  0  0 
M  END
> <ID>
CHEBI:210616

> <NAME>
Fusariumin D

> <STAR>
2

> <IUPAC_NAME>
methyl 2-[4-(4,6-dimethyloct-2-en-2-yl)oxet-2-ylidene]acetate; [(2R,3R)-2-aminotetradecan-3-yl] octanoate

> <FORMULA>
C16H24O3

> <MASS>
264.365

> <MONOISOTOPIC_MASS>
264.17254

> <CHARGE>
0

> <SMILES>
O=C(OC)C=C1OC(C(=CC(CC(CC)C)C)C)=C1

> <INCHI>
InChI=1S/C16H24O3/c1-6-11(2)7-12(3)8-13(4)15-9-14(19-15)10-16(17)18-5/h8-12H,6-7H2,1-5H3

> <INCHIKEY>
CLUMGRFRMRCNKL-UHFFFAOYSA-N

$$$$