LMFA11000594
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2150    7.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1483    6.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8644    6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4322    6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4322    5.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1483    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7161    6.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3008    7.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  8  5  1  0  0  0  0
  5  3  2  0  0  0  0
  8  2  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>
LMFA11000594

> <COMMON_NAME>
3-ethyl, 4,4-dimethyl-2-Pentene

> <SYSTEMATIC_NAME>
3-ethyl, 4,4-dimethyl-2-Pentene

> <FORMULA>
C9H18

> <MASS>
126.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Hydrocarbons [FA11]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MNQIWYOURGVWDV-SOFGYWHQSA-N

> <INCHI>
InChI=1S/C9H18/c1-6-8(7-2)9(3,4)5/h6H,7H2,1-5H3/b8-6+

> <SMILES>
CC(C)(C)/C(/CC)=C/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5369078

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1180

> <CITATION>
10596980

$$$$