LMFA07010522
  LIPID_MAPS_STRUCTURE_DATABASE

 12 11  0     0  0            999 V2000
   12.3008    9.3486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3008    8.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1180    7.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1180    6.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3264    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4094    8.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5180    8.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6265    8.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7350    8.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8435    8.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9521    8.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.0566    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
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010522

> <COMMON_NAME>
SFE 2:0/8:1(3E)

> <SYSTEMATIC_NAME>
ethyl 3E-octenoate

> <FORMULA>
C10H18O2

> <MASS>
170.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(2:0/8:1(3E))

> <INCHI_KEY>
BCMYNNIPTQUKAC-BQYQJAHWSA-N

> <INCHI>
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h7-8H,3-6,9H2,1-2H3/b8-7+

> <SMILES>
O=C(C/C=C/CCCC)OCC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0032275

> <CHEBI_ID>
180222

> <ABBREVIATION>
SFE 10:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5364397

> <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>
7213

> <CITATION>
24257931

$$$$