LMFA07010808
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0  0  0  0            999 V2000
    2.4849    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4849    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576    1.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291    1.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006    0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006   -0.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958   -1.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922   -0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7885   -1.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849   -0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922    0.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010808

> <COMMON_NAME>
cis-3-Hexenyl tiglate

> <SYSTEMATIC_NAME>
(3Z)-hex-3-en-1-yl (2E)-2-methylbut-2-enoate

> <FORMULA>
C11H18O2

> <MASS>
182.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JNWQKXUWZWKUAY-JQEGGOPCSA-N

> <INCHI>
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+

> <SMILES>
CC/C=C\CCOC(/C(/C)=C/C)=O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038279

> <CHEBI_ID>
195877

> <ABBREVIATION>
WE 11:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15461361

> <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>
-

$$$$