LMFA07010613
  LIPID_MAPS_STRUCTURE_DATABASE

 24 23  0     0  0            999 V2000
   16.3293    8.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3293    6.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4677    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6060    6.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7443    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8826    6.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0209    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1592    6.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2975    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6060    7.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1592    7.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7841    8.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5075    8.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2309    8.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9544    8.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6779    8.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9224    8.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6458    8.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3692    8.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0926    8.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8162    8.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5395    8.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5395    9.4882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  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  2  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  0  0  0  0
 17 24  1  0  0  0  0
 12 17  1  0  0  0  0
 18 12  1  0  0  0  0
 13 18  1  0  0  0  0
 19 13  1  0  0  0  0
 14 19  1  0  0  0  0
 20 14  1  0  0  0  0
 15 20  1  0  0  0  0
 21 15  1  0  0  0  0
 16 21  1  0  0  0  0
 22 16  1  0  0  0  0
 22  1  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010613

> <COMMON_NAME>
WE 8:2(2E,6E)(3Me,7Me)/12:0

> <SYSTEMATIC_NAME>
(E)-3,7-Dimethyl-2,6-octadienyl dodecanoate

> <FORMULA>
C22H40O2

> <MASS>
336.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:2(2E,6E)(3Me,7Me)/12:0); Geranyl laurate; Geranyl dodecanoate

> <INCHI_KEY>
LNEUQAMNTXRCPI-DYTRJAOYSA-N

> <INCHI>
InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-17-22(23)24-19-18-21(4)16-14-15-20(2)3/h15,18H,5-14,16-17,19H2,1-4H3/b21-18+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 22:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6114709

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Prenol Lipids [PR]

> <ALT_MAIN_CLASSES>
Isoprenoids [PR01]

> <ALT_SUB_CLASSES>
C10 isoprenoids (monoterpenes) [PR0102]

> <ALT_CLASS_LEVEL4S>
Acyclic monoterpenoids [PR010201]

> <TAXONOMY>
586968

> <CITATION>
24420491

$$$$