LMFA07010776
  LIPID_MAPS_STRUCTURE_DATABASE

  9  8  0  0  0  0            999 V2000
    0.0404    0.6006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6807    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4019    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1231    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -0.6006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7609    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1231    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1231   -0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  2  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
M  END
> <LM_ID>
LMFA07010776

> <COMMON_NAME>
Allyl butyrate

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

> <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>
RMZIOVJHUJAAEY-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040591

> <CHEBI_ID>
169062

> <ABBREVIATION>
SFE 7:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16324

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$