LMFA11000627
  LIPID_MAPS_STRUCTURE_DATABASE

  8  7  0  0  0  0  0  0  0  0999 V2000
    5.7350    6.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400    6.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    7.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4700    6.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    6.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4806    5.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2094    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000627

> <COMMON_NAME>
3-ethyl-2-methylpentane

> <SYSTEMATIC_NAME>
3-ethyl-2-methylpentane

> <FORMULA>
C8H18

> <MASS>
114.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DUPUVYJQZSLSJB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3

> <SMILES>
C(C(CC)C(C)C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11863

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$