LMFA07010899
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0     0  0            999 V2000
    2.6337    2.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337    3.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7395    3.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9393    3.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0435    3.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5294    3.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5294    4.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4721    6.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8198    3.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8209    2.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820    3.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329    6.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7484    6.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9092    6.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0247    6.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8145    6.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6275    5.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  5  9  2  0     0  0
  9 10  1  0     0  0
  9 11  1  0     0  0
  8 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  7 17  1  0     0  0
 12 17  1  0     0  0
M  END
> <LM_ID>
LMFA07010899

> <COMMON_NAME>
Neryl valerate

> <SYSTEMATIC_NAME>
(2Z)-3,7-dimethylocta-2,6-dien-1-yl pentanoate

> <FORMULA>
C15H26O2

> <MASS>
238.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CVSWGLSBJFKWMW-KAMYIIQDSA-N

> <INCHI>
InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11-

> <SMILES>
C/C(=C/COC(CCCC)=O)/CC/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040281

> <CHEBI_ID>
-

> <ABBREVIATION>
WE 15:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6436375

> <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>
72386

> <CITATION>
-

$$$$