LMFA07010627
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0     0  0            999 V2000
   11.3207   10.4898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3207    9.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1134    9.0778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1134    7.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4561    9.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5915    9.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7268    9.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8620    9.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    9.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2488    7.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3841    7.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5194    7.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546    7.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7900    7.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9253    7.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9517    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9253    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
  4 10  1  0  0  0  0
 10 11  2  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  2  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010627

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

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

> <FORMULA>
C16H28O2

> <MASS>
252.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

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

> <INCHI_KEY>
ARVSCQUZFFSNKF-QINSGFPZSA-N

> <INCHI>
InChI=1S/C16H28O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,12H,5-8,10-11,13H2,1-4H3/b15-12-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029351

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 16:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12571389

> <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>
30009

> <CITATION>
26698594

$$$$