Marvin  02080711452D          

 12 12  0  0  0  0            999 V2000
   -1.6207    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4938    2.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063    1.9813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3188    2.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918    1.5688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5227    1.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063    0.3312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1918   -0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  7  1  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
  3  7  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  6  0  0  0
  7  8  1  1  0  0  0
  9 11  1  6  0  0  0
 11 10  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <ID>
CHEBI:18515

> <NAME>
(1S,2S,4R)-limonene-1,2-diol

> <STAR>
3

> <SYNONYM>
(1S,2S,4R)-Menth-8-ene-1,2-diol; (1S,2S,4R)-Limonene-1,2-diol; (1S,2S,4R)-limonene-1,2-diol; (1S,2S,4R)-4-isopropenyl-1-methylcyclohexane-1,2-diol

> <IUPAC_NAME>
(1S,2S,4R)-menth-8-ene-1,2-diol; (1S,2S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol

> <FORMULA>
C10H18O2

> <MASS>
170.24872

> <MONOISOTOPIC_MASS>
170.13068

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1

> <INCHIKEY>
WKZWTZTZWGWEGE-UTLUCORTSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2325340

> <KEGG_COMPOUND_ACCESSION>
C07276

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0102090016

$$$$