LMFA07010741
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0  0  0  0            999 V2000
    2.1430   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1430   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -1.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4280    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430   -0.4118    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  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010741

> <COMMON_NAME>
2-Propenyl 2-ethylbutanoate

> <SYSTEMATIC_NAME>
prop-2-en-1-yl 2-ethylbutanoate

> <FORMULA>
C9H16O2

> <MASS>
156.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NBKXNUWCFMZFMM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0036208

> <CHEBI_ID>
171749

> <ABBREVIATION>
WE 9:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
61408

> <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>
-

$$$$