LMFA11000671
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    8.1706    6.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3782    5.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855    6.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7927    5.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3782    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1489    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855    6.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7927    5.0000    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
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000671

> <COMMON_NAME>
2,2,3,4-Tetramethylpentane

> <SYSTEMATIC_NAME>
2,2,3,4-Tetramethylpentane

> <FORMULA>
C9H20

> <MASS>
128.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VZFMYOCAEQDWDY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030301

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14462

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
119532

> <CITATION>
11357397

$$$$