LMFA11000626
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.7230    6.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7261    6.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8555    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4458    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0361    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1688    6.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7591    6.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  1  6  1  0  0  0  0
  6  8  1  0  0  0  0
  8  2  1  0  0  0  0
  8  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000626

> <COMMON_NAME>
2,2,3,3-tetramethylpentane

> <SYSTEMATIC_NAME>
2,2,3,3-tetramethylpentane

> <FORMULA>
C9H20

> <MASS>
128.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QUKOJKFJIHSBKV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92723

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$