LMFA11000333
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0     0  0            999 V2000
   10.6777    7.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547    6.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8311    7.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9076    6.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    7.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7547    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6525    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9076    6.0606    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  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000333

> <COMMON_NAME>
2,2,4-Trimethylhexane

> <SYSTEMATIC_NAME>
2,2,4-Trimethylhexane

> <FORMULA>
C9H20

> <MASS>
128.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AFTPEBDOGXRMNQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187668

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
28022

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
36963

> <CITATION>
24408627

$$$$