LMFA07010618
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0  0  0  0  0999 V2000
   11.3019    9.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3019    8.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0918    8.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0918    6.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4405    8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5789    8.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7173    8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8557    8.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9941    8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2303    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3687    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5071    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7838    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3687    7.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    7.8797    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>
LMFA07010618

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

> <SYSTEMATIC_NAME>
(E)-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(2E,6E)(3Me,7Me)/6:0); Geranyl caproate; Geranyl hexanoate

> <INCHI_KEY>
ARVSCQUZFFSNKF-NTCAYCPXSA-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>
-

> <CHEBI_ID>
196061

> <ABBREVIATION>
WE 16:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5365992

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Prenol Lipids [PR]

> <ALT_MAIN_CLASSES>
Isoprenoids [PR01]

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

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
48720

> <CITATION>
24420491

$$$$