LMFA07011158
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0     0  0            999 V2000
   14.9747    9.6368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9747    8.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7762    8.2090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1003    8.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2261    8.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3518    8.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4774    8.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6096    7.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5744    6.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6771    6.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6418    5.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8153    6.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9182    6.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0563    6.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1592    6.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2974    6.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1239    5.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3518    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6054    8.3896    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
  2  4  1  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
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 15 17  1  0     0  0
  8  3  1  0     0  0
  6 18  1  0     0  0
  7 19  1  0     0  0
M  END
> <LM_ID>
LMFA07011158

> <COMMON_NAME>
Neryl 4-methylhexanoate

> <SYSTEMATIC_NAME>
3,7-dimethyl-2Z,6-octadienyl 4-methylhexanoate

> <FORMULA>
C17H30O2

> <MASS>
266.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VMDVEVOHJJZFGJ-VBKFSLOCSA-N

> <INCHI>
InChI=1S/C17H30O2/c1-6-15(4)10-11-17(18)19-13-12-16(5)9-7-8-14(2)3/h8,12,15H,6-7,9-11,13H2,1-5H3/b16-12-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 17:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120681

> <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>
630309

> <CITATION>
33111574

$$$$