LMFA07040133
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0     0  0            999 V2000
   14.6351   -6.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7506   -7.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8661   -6.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9816   -6.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1469   -7.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3068   -6.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3179   -6.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4821   -7.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6481   -6.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4282   -5.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3659   -6.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2486   -7.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2409   -5.9371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5887   -5.9233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4905   -7.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1479   -9.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3566   -8.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7786   -9.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1850   -9.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2163   -8.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4745   -8.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8081   -8.8303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -7.0541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9189   -6.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0320   -6.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  4 10  1  0     0  0
  3 10  1  0     0  0
 11 12  1  0     0  0
  4 13  1  1     0  0
  3 14  1  1     0  0
  1 15  1  0     0  0
 15 11  1  0     0  0
 17 16  1  0     0  0
 16 19  1  0     0  0
 19 18  1  0     0  0
 20 17  1  0     0  0
 12 20  2  0     0  0
 18 21  1  0     0  0
 15 21  1  1     0  0
 18 22  2  0     0  0
  9 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
M  END
> <LM_ID>
LMFA07040133

> <COMMON_NAME>
Topsentolide A2

> <SYSTEMATIC_NAME>
11R,12S-epoxy-5Z,9E,14Z-eicosatrien-8R-olide

> <FORMULA>
C20H30O3

> <MASS>
318.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MWTCCFSVIGUOIH-NGSXCRDOSA-N

> <INCHI>
InChI=1S/C20H30O3/c1-2-3-4-5-6-10-13-18-19(23-18)16-15-17-12-9-7-8-11-14-20(21)22-17/h6-7,9-10,15-19H,2-5,8,11-14H2,1H3/b9-7-,10-6-,16-15+/t17-,18+,19-/m1/s1

> <SMILES>
C(/[C@@H]1OC(=O)CCCC=CC1)=C\[C@@]1([H])O[C@@]1([H])C/C=C\CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
77846324

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2622176; 2622176

> <CITATION>
16643027

$$$$