LMFA11000687
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
   10.1195    5.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3884    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570    5.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9256    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1942    5.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4628    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7314    5.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6570    6.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3681    6.0155    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000687

> <COMMON_NAME>
3,3-Dimethyloctane

> <SYSTEMATIC_NAME>
3,3-Dimethyloctane

> <FORMULA>
C10H22

> <MASS>
142.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DBULLUBYDONGLT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
143850

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
138117

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
119532

> <CITATION>
11357397

$$$$