LMFA07010593
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0     0  0            999 V2000
    9.6270    9.5307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6270    8.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4277    8.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4277    6.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7537    8.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8803    8.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    8.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5543    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809    6.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8074    6.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9340    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    6.8997    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  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010593

> <COMMON_NAME>
SFE 6:1(3Z)/4:0

> <SYSTEMATIC_NAME>
3Z-Hexenyl butanoate

> <FORMULA>
C10H18O2

> <MASS>
170.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(6:1(3Z)/4:0)

> <INCHI_KEY>
ZCHOPXVYTWUHDS-WAYWQWQTSA-N

> <INCHI>
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033377

> <CHEBI_ID>
176779

> <ABBREVIATION>
SFE 10:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5352438

> <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>
213289

> <CITATION>
17151908

$$$$