LMFA11000632
  LIPID_MAPS_STRUCTURE_DATABASE

  9  9  0  0  0  0  0  0  0  0999 V2000
    5.7145    5.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0124    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2258    5.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.4084    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1434    6.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  9  1  0  0  0  0
  9  7  1  0  0  0  0
  5  7  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000632

> <COMMON_NAME>
1,1,2-trimethylcyclohexane

> <SYSTEMATIC_NAME>
1,1,2-trimethylcyclohexane

> <FORMULA>
C9H18

> <MASS>
126.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MEBONNVPKOBPEA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18/c1-8-6-4-5-7-9(8,2)3/h8H,4-7H2,1-3H3

> <SMILES>
C1CCCC(C)C1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
35363

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$