LMFA07010924
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
    1.0412   -0.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195    0.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3196   -0.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0412    1.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3196    1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195    0.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0412    1.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3196   -1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0344   -1.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951   -1.4591    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
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010924

> <COMMON_NAME>
Isopropyl tiglate

> <SYSTEMATIC_NAME>
propan-2-yl (2Z)-2-methylbut-2-enoate

> <FORMULA>
C8H14O2

> <MASS>
142.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VUPBIVVRPJDWNW-ALCCZGGFSA-N

> <INCHI>
InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037624

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6432902

> <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>
-

$$$$