CDK     1030232203

 20 20  0  0  0  0  0  0  0  0999 V2000
    7.1449   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    1.2375    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
    5.0014    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    2.0625    0.0000 O   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
    5.0014    2.4751    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  2  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  1  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
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -1.6500    0.0000 O   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  2  0  0  0  0 
  4  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  2  3  0  0  0 
  9 12  1  0  0  0  0 
 13 11  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  1  0  0  0 
 16 14  1  1  0  0  0 
 16 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
  6  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:226958

> <NAME>
Fusarester D

> <STAR>
2

> <IUPAC_NAME>
2-[(4S,6S)-6-(hydroxymethyl)-4-methyloct-2-en-2-yl]-6-methoxypyran-4-one

> <FORMULA>
C16H24O4

> <MASS>
280.364

> <MONOISOTOPIC_MASS>
280.16746

> <CHARGE>
0

> <SMILES>
O=C1C=C(OC(=C1)C(=C[C@H](C[C@@H](CO)CC)C)C)OC

> <INCHI>
InChI=1S/C16H24O4/c1-5-13(10-17)7-11(2)6-12(3)15-8-14(18)9-16(19-4)20-15/h6,8-9,11,13,17H,5,7,10H2,1-4H3/t11-,13+/m1/s1

> <INCHIKEY>
SYSUSPJXALIYLU-YPMHNXCESA-N

$$$$