LMFA07010664
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0     0  0            999 V2000
   11.2607    9.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2607    8.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0551    8.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3941    8.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    8.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6607    8.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941    8.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9274    8.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3941    7.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6607    7.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9869    8.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0591    8.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0591    9.6760    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
  3 13  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010664

> <COMMON_NAME>
Isopropyl 2,4-dimethyl-2E,4E-heptadienoate

> <SYSTEMATIC_NAME>
Isopropyl 2,4-dimethyl-2E,4E-heptadienoate

> <FORMULA>
C12H20O2

> <MASS>
196.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(2:0(1Me)/7:2(2E,4E)(2Me,4Me)); trun-call 2

> <INCHI_KEY>
ODGPAJTXQMSFEA-AMMQDNIMSA-N

> <INCHI>
InChI=1S/C12H20O2/c1-6-7-10(4)8-11(5)12(13)14-9(2)3/h7-9H,6H2,1-5H3/b10-7+,11-8+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195909

> <ABBREVIATION>
SFE 12:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20056444

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Branched fatty acids [FA0102]; Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
101470

> <CITATION>
24258923

$$$$