LMFA07010624
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   13.8382   10.4874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8382    9.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6304    9.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6304    7.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9741    9.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1100    9.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2457    9.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3816    9.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5174    9.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6532    9.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7890    9.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9249    9.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7664    7.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9021    7.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0380    7.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1737    7.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3096    7.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4454    7.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5811    7.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4700    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4454    6.3606    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
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010624

> <COMMON_NAME>
WE 8:2(2Z,6E)(3Me,7Me)/10:0

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

> <FORMULA>
C20H36O2

> <MASS>
308.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:2(2Z,6E)(3Me,7Me)/10:0); Neryl decanoate

> <INCHI_KEY>
ICAWXCQTUNYABR-MNDPQUGUSA-N

> <INCHI>
InChI=1S/C20H36O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h13,16H,5-12,14-15,17H2,1-4H3/b19-16-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180340

> <ABBREVIATION>
WE 20:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936013

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Prenol Lipids [PR]

> <ALT_MAIN_CLASSES>
Isoprenoids [PR01]

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

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
30009

> <CITATION>
26698594

$$$$