LMFA11000702
  LIPID_MAPS_STRUCTURE_DATABASE

  7  6  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
    5.7144    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  5  1  0  0  0  0
  5  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000702

> <COMMON_NAME>
3-Ethylpentane

> <SYSTEMATIC_NAME>
3-Ethylpentane

> <FORMULA>
C7H16

> <MASS>
100.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AORMDLNPRGXHHL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3

> <SMILES>
CCC(CC)CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165737

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12048

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
119532

> <CITATION>
11357397

$$$$