LMFA07010628
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   12.9038    9.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9038    7.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0396    7.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1751    7.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3108    7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4463    7.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5818    7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7175    7.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    7.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7430    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7175    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250    9.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7895    9.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6538    9.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5184    9.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3828    9.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2473    9.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1115    9.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1115   10.4886    0.0000 O   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
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19  1  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010628

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

> <SYSTEMATIC_NAME>
(Z)-3,7-Dimethyl-2,6-octadienyl octanoate

> <FORMULA>
C18H32O2

> <MASS>
280.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:2(2Z,6E)(3Me,7Me)/8:0); Neryl octanoate

> <INCHI_KEY>
YYBMOGCOPQVSLQ-VKAVYKQESA-N

> <INCHI>
InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196495

> <ABBREVIATION>
WE 18:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5352767

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Prenol Lipids [PR]

> <ALT_MAIN_CLASSES>
Isoprenoids [PR01]

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

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
596837

> <CITATION>
-

$$$$