LMFA07010540
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0     0  0            999 V2000
   15.5263    9.4838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5263    8.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3152    8.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3152    6.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6660    8.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8054    8.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9449    8.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0843    8.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2238    8.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632    8.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5027    8.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6421    8.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7817    8.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9211    8.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4547    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5942    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7336    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8731    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0127    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1521    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2916    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4310    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5705    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7099    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8494    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5942    7.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1521    7.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7099    7.8778    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
  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
  4 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 17 27  1  0  0  0  0
 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010540

> <COMMON_NAME>
(E,E)-farnesyl dodecanoate

> <SYSTEMATIC_NAME>
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate

> <FORMULA>
C27H48O2

> <MASS>
404.37

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/12:0)

> <INCHI_KEY>
APTQJZOTWYEACL-HWHBRYGOSA-N

> <INCHI>
InChI=1S/C27H48O2/c1-6-7-8-9-10-11-12-13-14-21-27(28)29-23-22-26(5)20-16-19-25(4)18-15-17-24(2)3/h17,19,22H,6-16,18,20-21,23H2,1-5H3/b25-19+,26-22+

> <SMILES>
O=C(CCCCCCCCCCC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186687

> <ABBREVIATION>
WE 27:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935987

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Prenol Lipids [PR]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Isoprenoids [PR01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]; C15 isoprenoids (sesquiterpenes) [PR0103]

> <ALT_CLASS_LEVEL4S>
-; Acyclic farnesane sesquiterpenoids [PR010301]

> <TAXONOMY>
10157; 205248

> <CITATION>
17709112

$$$$