CDK     1030232203

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.2540   -0.4125    0.0000 O   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
    1.8415   -1.1270    0.0000 C   0  0  2  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
    1.8415   -1.9520    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
    2.5560   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7537   -0.0770    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
   -0.9253    0.7301    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
   -0.8932   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1262   -0.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6112   -1.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  3  1  1  0  0  0  0 
  2  4  1  6  0  0  0 
  3  5  1  1  0  0  0 
  6  4  1  1  0  0  0 
  5  7  1  0  0  0  0 
  8  6  1  0  0  0  0 
  6  9  1  0  0  0  0 
  8 10  1  1  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 11 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  2  3  1  0  0  0  0 
 11 12  2  0  0  0  0 
M  END
> <ID>
CHEBI:225439

> <NAME>
Communiol G

> <STAR>
2

> <IUPAC_NAME>
(1S,5R)-5-[[(2S,3S)-3-ethyloxiran-2-yl]methyl]-2-(hydroxymethyl)cyclopent-2-en-1-ol

> <FORMULA>
C11H18O3

> <MASS>
198.262

> <MONOISOTOPIC_MASS>
198.12559

> <CHARGE>
0

> <SMILES>
O1[C@@H](C[C@@H]2[C@H](O)C(CO)=CC2)[C@@H]1CC

> <INCHI>
InChI=1S/C11H18O3/c1-2-9-10(14-9)5-7-3-4-8(6-12)11(7)13/h4,7,9-13H,2-3,5-6H2,1H3/t7-,9+,10+,11+/m1/s1

> <INCHIKEY>
VMWLSRTVOZWJGO-PXIYARARSA-N

$$$$