LMFA07090122
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.4309   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.7463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0361   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9047   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7732   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6417   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5103   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3788   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2473   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1158   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9844   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970   -2.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971   -3.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630   -1.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7732   -1.7463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.8487   -0.2434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.9878   -1.7463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 15  2  1  0     0  0
 15 16  1  0     0  0
 15 17  1  0     0  0
 16 18  2  0     0  0
 16 19  1  0     0  0
  8 20  1  0     0  0
 14 21  1  0     0  0
 14 22  1  0     0  0
M  END
> <LM_ID>
LMFA07090122

> <COMMON_NAME>
Chlorosphaerolactylate D

> <SYSTEMATIC_NAME>
2-(6,12,12-trichloro-dodecanoyloxy)-propanoic acid

> <FORMULA>
C15H25O4Cl3

> <MASS>
374.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acid estolides [FA0709]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ISBIDCLRYLGPPC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H25Cl3O4/c1-11(15(20)21)22-14(19)10-6-5-8-12(16)7-3-2-4-9-13(17)18/h11-13H,2-10H2,1H3,(H,20,21)

> <SMILES>
C(CCCCC(Cl)CCCCCC(Cl)Cl)(=O)OC(C)C(O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156015038

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1380707

> <CITATION>
32479093

$$$$