LMFA07010515
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0     0  0            999 V2000
   14.7755    9.2901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7755    8.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5767    7.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5767    6.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8005    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9270    6.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0530    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1789    6.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3049    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4308    6.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5568    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6827    6.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8087    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9346    6.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9016    8.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0275    8.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1535    8.0234    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
  5  6  1  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010515

> <COMMON_NAME>
SFE 12:0/4:1(2E)

> <SYSTEMATIC_NAME>
dodecyl 2E-butenoate

> <FORMULA>
C16H30O2

> <MASS>
254.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(12:0/4:1(2E))

> <INCHI_KEY>
PJJDTHSONOWIIH-LNKIKWGQSA-N

> <INCHI>
InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,14H,3,5-13,15H2,1-2H3/b14-4+

> <SMILES>
O=C(/C=C/C)OCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179797

> <ABBREVIATION>
WE 16:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5462914

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1550038

> <CITATION>
-

$$$$