CDK     1030232203

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.7144    0.0000    0.0000 Cl  0  0  0  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
   -0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7144   -1.6500    0.0000 C   0  0  1  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
   -2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  2  0  0  0  0 
  3  5  2  0  0  0  0 
  6  3  1  0  0  0  0 
  7  4  1  0  0  0  0 
  8  6  1  0  0  0  0 
  6  9  1  1  0  0  0 
  7 10  1  6  0  0  0 
  8 11  1  1  0  0  0 
  7  8  1  0  0  0  0 
M  END
> <ID>
CHEBI:226970

> <NAME>
Terrestrol K

> <STAR>
2

> <IUPAC_NAME>
(4S,5S,6R)-2-chloro-4,5-dihydroxy-6-methylcyclohex-2-en-1-one

> <FORMULA>
C7H9ClO3

> <MASS>
176.600

> <MONOISOTOPIC_MASS>
176.02402

> <CHARGE>
0

> <SMILES>
ClC=1C(=O)[C@@H]([C@H](O)[C@H](C1)O)C

> <INCHI>
InChI=1S/C7H9ClO3/c1-3-6(10)4(8)2-5(9)7(3)11/h2-3,5,7,9,11H,1H3/t3-,5-,7-/m0/s1

> <INCHIKEY>
FVAPDNPZMMPASW-XUJUNTFYSA-N

$$$$