LMFA11000651
  LIPID_MAPS_STRUCTURE_DATABASE

  9  9  0  0  0  0  0  0  0  0999 V2000
    6.4290    6.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7145    5.8250    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
    5.0000    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    7.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1435    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  1  8  1  0  0  0  0
  6  7  1  0  0  0  0
  1  6  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000651

> <COMMON_NAME>
1-methyl-2-ethylcyclohexane

> <SYSTEMATIC_NAME>
1-methyl-2-ethylcyclohexane

> <FORMULA>
C9H18

> <MASS>
126.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XARGIVYWQPXRTC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3

> <SMILES>
C1(CC)C(C)CCCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
35413

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$