CDK     1030232203

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.9685    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540   -0.4125    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
    1.8415   -1.1270    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
    0.0000   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  1  6  0  0  0 
  5  6  1  0  0  0  0 
  3  4  1  0  0  0  0 
M  END
> <ID>
CHEBI:222803

> <NAME>
Penitricin

> <STAR>
2

> <IUPAC_NAME>
2-(hydroxymethyl)cyclopropan-1-one

> <FORMULA>
C4H6O2

> <MASS>
86.090

> <MONOISOTOPIC_MASS>
86.03678

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h3,5H,1-2H2/t3-/m1/s1

> <INCHIKEY>
CERKMQPAWBVDBC-GSVOUGTGSA-N

$$$$