LMFA07010905
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0            999 V2000
   -3.5035    0.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7826    0.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1403    0.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4195    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    0.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0247   -0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974   -0.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4195   -0.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0605   -0.7717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6479   -0.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3824   -0.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756   -0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8102   -0.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5035   -0.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010905

> <COMMON_NAME>
Hexyl 2-methyl-4-pentenoate

> <SYSTEMATIC_NAME>
hexyl 2-methylpent-4-enoate

> <FORMULA>
C12H22O2

> <MASS>
198.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GEDRGVNPMIOGRX-UHFFFAOYSA-N

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

> <SMILES>
C=CCC(C(=O)OCCCCCC)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040163

> <CHEBI_ID>
171841

> <ABBREVIATION>
WE 12:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
57351134

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$