CDK     1029232201

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.9252    0.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536   -0.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  1  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
    0.6919   -0.8618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  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
   -1.2288   -2.1582    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
   -1.5643   -2.9118    0.0000 N   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 
  4  2  1  0  0  0  0 
  3  5  2  0  0  0  0 
  4  6  1  6  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
  7 10  2  0  0  0  0 
  9 11  3  0  0  0  0 
  5  8  1  0  0  0  0 
M  END
> <ID>
CHEBI:202451

> <NAME>
Homothallin II

> <STAR>
2

> <IUPAC_NAME>
4-ethenyl-4-hydroxy-3-oxocyclopentene-1-carbonitrile

> <FORMULA>
C8H7NO2

> <MASS>
149.149

> <MONOISOTOPIC_MASS>
149.04768

> <CHARGE>
0

> <SMILES>
O=C1C=C(C#N)C[C@]1(O)C=C

> <INCHI>
InChI=1S/C8H7NO2/c1-2-8(11)4-6(5-9)3-7(8)10/h2-3,11H,1,4H2/t8-/m1/s1

> <INCHIKEY>
GFDNNKCENLWCOQ-MRVPVSSYSA-N

$$$$