LMFA07010622
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   12.0910    8.0806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0910    6.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2297    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3681    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5067    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6451    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7836    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9221    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3681    7.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9221    7.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4400    8.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5784    8.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3013    8.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3013    9.4874    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
  3  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
  8  9  2  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  0  0  0  0
 14  1  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010622

> <COMMON_NAME>
SFE 8:2(2E,7E)(3Me,7Me)/3:0

> <SYSTEMATIC_NAME>
(E)-3,7-Dimethyl-2,7-octadienyl propionate

> <FORMULA>
C13H22O2

> <MASS>
210.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(8:2(2E,7E)(3Me,7Me)/3:0); alpha-geranyl propionate

> <INCHI_KEY>
NACFFFPZCNALMT-FMIVXFBMSA-N

> <INCHI>
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h9H,2,5-8,10H2,1,3-4H3/b12-9+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 13:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11252129

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Prenol Lipids [PR]

> <ALT_MAIN_CLASSES>
Isoprenoids [PR01]

> <ALT_SUB_CLASSES>
C10 isoprenoids (monoterpenes) [PR0102]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
665250

> <CITATION>
24420684

$$$$