LMFA07010597
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   12.9584   10.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9584    9.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7488    8.7701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7488    7.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0963    8.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2340    9.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3718    8.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    9.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6473    8.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    9.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    8.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8866    7.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0245    7.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1623    7.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000    7.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4378    7.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5755    7.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8866    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4378    6.0607    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
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  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
 13 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010597

> <COMMON_NAME>
WE 7:1(5)(2Me,6Me)/9:0

> <SYSTEMATIC_NAME>
2,6-Dimethyl-5-heptenyl nonanoate

> <FORMULA>
C18H36O2

> <MASS>
284.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(7:1(5)(2Me,6Me)/9:0)

> <INCHI_KEY>
BLWHBJVGTIOHNE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H36O2/c1-5-6-7-8-9-10-14-18(19)20-15-17(4)13-11-12-16(2)3/h16-17H,5-15H2,1-4H3

> <SMILES>
O=C(CCCCCCCC)OCC(C)CCCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196214

> <ABBREVIATION>
WE 18:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936006

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
168605

> <CITATION>
-

$$$$