LMFA07010726
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
   -0.2244   -1.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418   -0.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5161   -0.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2565   -0.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2565   -1.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8436   -0.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2551    0.2718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8436    0.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565    1.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0179    0.9860    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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010726

> <COMMON_NAME>
2-Methylpropyl (2E)-butenoate

> <SYSTEMATIC_NAME>
2-methylpropyl (2Z)-but-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>
XDOWKOALJBOBBL-PLNGDYQASA-N

> <INCHI>
InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4-5,7H,6H2,1-3H3/b5-4-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0036212

> <CHEBI_ID>
180292

> <ABBREVIATION>
WE 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6435824

> <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>
-

$$$$