LMFA07010580
  LIPID_MAPS_STRUCTURE_DATABASE

 11 10  0     0  0            999 V2000
    8.6547   10.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6547    9.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4474    9.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4474    7.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7901    9.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254    9.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828    7.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7181    7.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8534    7.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828    6.3606    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
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010580

> <COMMON_NAME>
SFE 4:1(2E)(2Me)/4:0

> <SYSTEMATIC_NAME>
2-Methyl-2E-butenyl butyrate

> <FORMULA>
C9H16O2

> <MASS>
156.12

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(4:1(2E)(2Me)/4:0)

> <INCHI_KEY>
JLVXNEUMPJYPPE-VMPITWQZSA-N

> <INCHI>
InChI=1S/C9H16O2/c1-4-6-9(10)11-7-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+

> <SMILES>
O=C(CCC)OC/C(/C)=C/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195749

> <ABBREVIATION>
SFE 9:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936000

> <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>
881523

> <CITATION>
-

$$$$