LMFA11000701
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    6.4290    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  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
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA11000701

> <COMMON_NAME>
3-Ethylheptane

> <SYSTEMATIC_NAME>
3-Ethylheptane

> <FORMULA>
C9H20

> <MASS>
128.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PSVQKOKKLWHNRP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
51806

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
119532

> <CITATION>
11357397

$$$$