CDK     1030232203

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.1435    0.8250    0.0000 O   0  0  0  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
    1.4290   -0.4125    0.0000 C   0  0  0  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
    1.4290   -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
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -1.6500    0.0000 C   0  0  1  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
    2.1435   -2.4751    0.0000 O   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 
  3  6  1  0  0  0  0 
  4  7  1  0  0  0  0 
  8  5  1  0  0  0  0 
  6  9  1  0  0  0  0 
  8 10  1  1  0  0  0 
  7  8  1  0  0  0  0 
M  END
> <ID>
CHEBI:226837

> <NAME>
(R)-4-hydroxy-2-ethyl-2-cyclohexen-1-one

> <STAR>
2

> <IUPAC_NAME>
(4R)-2-ethyl-4-hydroxycyclohex-2-en-1-one

> <FORMULA>
C8H12O2

> <MASS>
140.182

> <MONOISOTOPIC_MASS>
140.08373

> <CHARGE>
0

> <SMILES>
O=C1C(=C[C@H](O)CC1)CC

> <INCHI>
InChI=1S/C8H12O2/c1-2-6-5-7(9)3-4-8(6)10/h5,7,9H,2-4H2,1H3/t7-/m1/s1

> <INCHIKEY>
XPMSNKCKSZRCNB-SSDOTTSWSA-N

$$$$