LMFA07010884
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0            999 V2000
   -0.3280   -1.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3280   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668    0.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8056   -1.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8056    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101    1.0257    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  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010884

> <COMMON_NAME>
Ethyl tiglate

> <SYSTEMATIC_NAME>
ethyl (2E)-2-methylbut-2-enoate

> <FORMULA>
C7H12O2

> <MASS>
128.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OAPHLAAOJMTMLY-GQCTYLIASA-N

> <INCHI>
InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+

> <SMILES>
O=C(/C(/C)=C/C)OCC

> <KEGG_ID>
C08487

> <HMDB_ID>
HMDB0038962

> <CHEBI_ID>
4892

> <ABBREVIATION>
SFE 7:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281163

> <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>
-

$$$$