LMFA11000622
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    5.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5723    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4289    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  5  2  1  0  0  0  0
  2  6  1  0  0  0  0
  6  4  1  0  0  0  0
  4  3  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000622

> <COMMON_NAME>
3,6-dimethyloctane

> <SYSTEMATIC_NAME>
3,6-dimethyloctane

> <FORMULA>
C10H22

> <MASS>
142.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JEEQUUSFXYRPRK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
85927

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$