Marvin  01140811032D          

 12 12  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
 10  4  1  0  0  0  0
  4  5  1  0  0  0  0
 11  5  1  0  0  0  0
  6  5  1  0  0  0  0
  2  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:48250

> <NAME>
p-menthane-3,8-diol

> <DEFINITION>
A p-menthane monoterpenoid in which p-menthane carries hydroxy groups at C-3 and C-8.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12838; CHEBI:25853

> <SYNONYM>
p-menthane-3,8-diol; 2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol

> <IUPAC_NAME>
2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

> <FORMULA>
C10H20O2

> <MASS>
172.26460

> <MONOISOTOPIC_MASS>
172.14633

> <CHARGE>
0

> <SMILES>
CC1CCC(C(O)C1)C(C)(C)O

> <INCHI>
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3

> <INCHIKEY>
LMXFTMYMHGYJEI-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2552262

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