CDK     1023151745

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 O   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
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  5 10  1  0  0  0  0 
  2  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:89344

> <NAME>
cis-4-Hydroxycyclohexylacetic acid

> <STAR>
2

> <SYNONYM>
cis-4-Hydroxycyclohexylacetate; 4-Hydroxycyclohexylacetate; 4-Hydroxy-cyclohexylessigsaeure; 2-(4-hydroxycyclohexyl)acetic acid

> <FORMULA>
C8H14O3

> <MASS>
158.195

> <MONOISOTOPIC_MASS>
158.09429

> <CHARGE>
0

> <SMILES>
C(CC1CCC(CC1)O)(=O)O

> <INCHI>
InChI=1S/C8H14O3/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)

> <INCHIKEY>
ALTAAUJNHYWOGS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
68592-22-3

> <PUBMED_CITATION>
24029555

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