LMFA07010976
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   -3.2910   -1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2910   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1562   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5594   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6926   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9057    1.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7717    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723   -0.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    1.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5043    0.5504    0.0000 C   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  4  2  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
  7  9  2  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
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0     0  0
M  END
> <LM_ID>
LMFA07010976

> <COMMON_NAME>
Neryl propionate

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

> <FORMULA>
C13H22O2

> <MASS>
210.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
SFE 8:2(2Z,6)(3Me,7Me)/2:0

> <INCHI_KEY>
BYCHQEILESTMQU-XFXZXTDPSA-N

> <INCHI>
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9-

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038258

> <CHEBI_ID>
174072

> <ABBREVIATION>
SFE 13:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5365982

> <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>
6956

> <CITATION>
26462831

$$$$