LMFA07100001
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   -0.4310   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2994   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1682   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0370   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9057   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6433   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5120   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3808   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6433    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970   -0.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1631   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969    0.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0     0  0
  2 13  1  0     0  0
 13 14  1  0     0  0
 13 15  1  0     0  0
M  END
> <LM_ID>
LMFA07100001

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
isopropyl 7-methyl-4-non-4E-enoate

> <FORMULA>
C13H24O2

> <MASS>
212.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
isopropyl (E)-7-methyl-4-nonenoate

> <INCHI_KEY>
LENNYCOKHDKCQF-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C13H24O2/c1-5-12(4)9-7-6-8-10-13(14)15-11(2)3/h6-7,11-12H,5,8-10H2,1-4H3/b7-6+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 13:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
164576926

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1010634

> <CITATION>
35945405

$$$$