CDK     1030232200

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1262   -0.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7537   -0.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0862   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431    0.4114    0.0000 O   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
    0.6487    0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 C   0  0  1  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
    1.0165   -1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8415   -1.9520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5560   -2.3645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5560   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2705   -1.9520    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  0  0  0  0 
  4  6  2  0  0  0  0 
  5  7  1  1  0  0  0 
  5  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
 10  8  1  0  0  0  0 
 10 11  1  6  0  0  0 
 12 10  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  6  0  0  0 
 15 12  1  0  0  0  0 
 16 15  1  0  0  0  0 
 16 17  1  6  0  0  0 
 16 18  1  0  0  0  0 
  5  6  1  0  0  0  0 
 15 14  1  6  0  0  0 
M  END
> <ID>
CHEBI:206700

> <NAME>
Murranolide A

> <STAR>
2

> <IUPAC_NAME>
(5R)-5-[(2S)-2-[(2R,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]-2-methoxyethyl]-5-methoxyuran-2-one

> <FORMULA>
C12H18O6

> <MASS>
258.270

> <MONOISOTOPIC_MASS>
258.11034

> <CHARGE>
0

> <SMILES>
O=C1O[C@](OC)(C[C@H](OC)[C@H]2O[C@H]2[C@@H](O)C)C=C1

> <INCHI>
InChI=1S/C12H18O6/c1-7(13)10-11(17-10)8(15-2)6-12(16-3)5-4-9(14)18-12/h4-5,7-8,10-11,13H,6H2,1-3H3/t7-,8-,10-,11+,12-/m0/s1

> <INCHIKEY>
INCMIDZCFLXDFG-TZAKJNRTSA-N

$$$$