LMFA07010190
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   13.9386    7.1408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9897    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8076    7.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6719    7.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8076    8.4888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0336    7.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0771    7.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1206    7.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1641    7.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2076    7.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2511    7.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0771    8.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2511    8.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  2  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  2  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
> <LM_ID>
LMFA07010190

> <COMMON_NAME>
SFE 8:1(6E)(8-oxo,3Me,7Me)/2:0

> <SYSTEMATIC_NAME>
8-oxo-3,7-Dimethyl-6E-octenyl acetate

> <FORMULA>
C12H20O3

> <MASS>
212.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(E)-8-oxocitronellyl acetate; SFE (8:1(6E)(8-oxo,3Me,7Me)/2:0)

> <INCHI_KEY>
HEUSWAZSUJSVCG-IZZDOVSWSA-N

> <INCHI>
InChI=1S/C12H20O3/c1-10(7-8-15-12(3)14)5-4-6-11(2)9-13/h6,9-10H,4-5,7-8H2,1-3H3/b11-6+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180009

> <ABBREVIATION>
SFE 12:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11264314

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
623683

> <CITATION>
24408628

$$$$