LMFA07100002
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  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
   -5.6434   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5121   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6434    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
  9 11  1  0     0  0
  2 12  1  0     0  0
 12 13  1  0     0  0
 12 14  1  0     0  0
M  END
> <LM_ID>
LMFA07100002

> <COMMON_NAME>


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

> <FORMULA>
C12H22O2

> <MASS>
198.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

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

> <INCHI_KEY>
ZBHJLDJEYOQORO-AATRIKPKSA-N

> <INCHI>
InChI=1S/C12H22O2/c1-10(2)8-6-5-7-9-12(13)14-11(3)4/h5-6,10-11H,7-9H2,1-4H3/b6-5+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 12:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
164576917

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1010634

> <CITATION>
35945405

$$$$