LMFA11000646
  LIPID_MAPS_STRUCTURE_DATABASE

 10 10  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7146    7.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7146    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4289    7.0626    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1433    7.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  7  1  0  0  0  0
  1  5  1  0  0  0  0
  5  2  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000646

> <COMMON_NAME>
1-ethyl-2,3-dimethycyclohexane

> <SYSTEMATIC_NAME>
1-ethyl-2,3-dimethycyclohexane

> <FORMULA>
C10H20

> <MASS>
140.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VJIJHYHFBLLMQS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H20/c1-4-10-7-5-6-8(2)9(10)3/h8-10H,4-7H2,1-3H3

> <SMILES>
C1CCC(CC)C(C)C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
550319

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$