LMPR0102090057
  LIPID_MAPS_STRUCTURE_DATABASE

 11 11  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.8876    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7145    8.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4289    6.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6 10  1  1  0  0  0
  7  8  1  1  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMPR0102090057

> <COMMON_NAME>
neoisomenthol

> <SYSTEMATIC_NAME>
rel-(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol

> <FORMULA>
C10H20O

> <MASS>
156.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C10 isoprenoids (monoterpenes) [PR0102]

> <CLASS_LEVEL4>
Menthane monoterpenoids [PR010209]

> <SYNONYMS>
(1alpha,2alpha,5alpha)-5-methyl-2-(1-methylethyl)cyclohexanol; cis-1,3,cis-1,4-menthol; iso-neomenthol

> <INCHI_KEY>
NOOLISFMXDJSKH-OPRDCNLKSA-N

> <INCHI>
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1

> <SMILES>
C1C[C@H](C(C)C)[C@H](O)C[C@@H]1C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0041628

> <CHEBI_ID>
18451

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
19244

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$