LMFA07100006
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0     0  0            999 V2000
   -0.4312   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4312   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3001   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0386   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9078   -0.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7770   -0.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6413   -0.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5092   -0.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3735   -0.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5126   -1.7409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2412   -0.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1055   -0.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313   -1.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972   -0.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1633   -0.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971    0.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  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
  8  9  1  0     0  0
  9 10  1  0     0  0
  9 11  2  0     0  0
 10 12  1  0     0  0
 12 13  1  0     0  0
  2 14  2  0     0  0
  2 15  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
M  END
> <LM_ID>
LMFA07100006

> <COMMON_NAME>
Pantheric acid F

> <SYSTEMATIC_NAME>
10-ethoxy-2methylene-10-oxodecanoic acid

> <FORMULA>
C13H22O4

> <MASS>
242.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NLHBAEDJNAFJHZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C13H22O4/c1-3-17-12(14)10-8-6-4-5-7-9-11(2)13(15)16/h2-10H2,1H3,(H,15,16)

> <SMILES>
C(CCCCCCC(=O)OCC)C(C(=O)O)=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 13:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
170990540

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Dicarboxylic acids [FA0117]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5065

> <CITATION>
33764238

$$$$