LMFA07010717
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0            999 V2000
    0.3682   -0.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3682    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761    1.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7825    1.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903    1.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903    0.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464   -1.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0610   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7756   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4903   -0.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7756   -1.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010717

> <COMMON_NAME>
2-Hexenyl isovalerate

> <SYSTEMATIC_NAME>
(2E)-hex-2-en-1-yl 3-methylbutanoate

> <FORMULA>
C11H20O2

> <MASS>
184.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SAVRWHQEMHIAEB-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038274

> <CHEBI_ID>
172052

> <ABBREVIATION>
WE 11:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5352460

> <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>
-

$$$$