LMFA07010742
  LIPID_MAPS_STRUCTURE_DATABASE

 10  9  0  0  0  0            999 V2000
    2.1572    0.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4368    0.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216   -0.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287    0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    0.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0068   -0.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7288   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368   -0.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1572   -0.8030    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010742

> <COMMON_NAME>
2-Propenyl 3-methylbutanoate

> <SYSTEMATIC_NAME>
prop-2-en-1-yl 3-methylbutanoate

> <FORMULA>
C8H14O2

> <MASS>
142.10

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HOMAGVUCNZNWBC-UHFFFAOYSA-N

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

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

> <KEGG_ID>
C19318

> <HMDB_ID>
HMDB0038036

> <CHEBI_ID>
82380

> <ABBREVIATION>
WE 8:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
17816

> <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>
-

$$$$