LMFA07011156
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   14.9136    9.5975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9136    8.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7119    8.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0428    8.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1722    8.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3014    8.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4306    8.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5598    8.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5419    7.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5067    6.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6132    6.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5780    5.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7549    6.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8614    6.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0031    6.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1096    6.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2513    6.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0744    5.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    8.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    8.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9267    8.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542    8.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8151    7.3097    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
  7  8  1  0  0  0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 11 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 16 18  1  0     0  0
  9  3  1  0     0  0
  8 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 20 23  1  0     0  0
M  END
> <LM_ID>
LMFA07011156

> <COMMON_NAME>
Neryl 8-methyldecanoate

> <SYSTEMATIC_NAME>
3,7-dimethyl-2Z,6-octadienyl 8-methyldecanoate

> <FORMULA>
C21H38O2

> <MASS>
322.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CGTSMPFIFKBTNI-SILNSSARSA-N

> <INCHI>
InChI=1S/C21H38O2/c1-6-19(4)13-9-7-8-10-15-21(22)23-17-16-20(5)14-11-12-18(2)3/h12,16,19H,6-11,13-15,17H2,1-5H3/b20-16-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 21:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120683

> <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

$$$$