LMFA11000641
  LIPID_MAPS_STRUCTURE_DATABASE

  9  9  0  0  0  0  0  0  0  0999 V2000
    5.7144    5.4125    0.0000 C   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
    6.4289    6.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2376    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8578    6.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8578    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.2376    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0000    6.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  8  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  6  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  7  1  6  0  0  0
  8  9  1  1  0  0  0
M  END
> <LM_ID>
LMFA11000641

> <COMMON_NAME>
1alpha,2beta,4-beta-trimethylcyclohexane

> <SYSTEMATIC_NAME>
1alpha,2beta,4-beta-trimethylcyclohexane

> <FORMULA>
C9H18

> <MASS>
126.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VCJPCEVERINRSG-IWSPIJDZSA-N

> <INCHI>
InChI=1S/C9H18/c1-7-4-5-8(2)9(3)6-7/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6432704

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$