LMFA11000602
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    6.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1487    6.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    5.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2974    5.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5812    6.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5812    6.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9563    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4324    5.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0173    5.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000602

> <COMMON_NAME>
2,5,5-trimethyl-heptane

> <SYSTEMATIC_NAME>
2,5,5-trimethyl-heptane

> <FORMULA>
C10H22

> <MASS>
142.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SOYLPZSOEXZMLE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H22/c1-6-10(4,5)8-7-9(2)3/h9H,6-8H2,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14478

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$