LMGL01010041
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0  0  0  0  0  0  0  0999 V2000
   18.7975   -1.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6712   -1.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7975   -2.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9174   -1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0368   -1.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1563   -1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2758   -0.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3952   -0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5147    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6341    0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7536    0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8731    0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9925    0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1120    0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2315    0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3509    0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4704    0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5898    0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7093    0.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8288    0.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6342    1.6106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3662    1.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5002    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5003    3.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5372   -1.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4033   -1.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2693   -1.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1353   -1.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4033   -0.4074    0.0000 O   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  3  0     0  0
  7  8  1  0     0  0
  8  9  3  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 10 21  1  0     0  0
 23 24  1  0     0  0
 23 22  2  0     0  0
 21 23  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 26 29  1  0     0  0
  2 25  1  0     0  0
M  END
> <LM_ID>
LMGL01010041

> <COMMON_NAME>
Peyssonenyne A

> <SYSTEMATIC_NAME>
1-(8Z,12Z,15Z-8-acetyloxyoctadecatrien-4,6-diynoyl)-glycerol

> <FORMULA>
C23H30O6

> <MASS>
402.20

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Monoradylglycerols [GL01]

> <SUB_CLASS>
Monoacylglycerols [GL0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WCLDOFZIDWTNDW-JGENGDGQSA-N

> <INCHI>
InChI=1S/C23H30O6/c1-3-4-5-6-7-8-9-12-15-22(29-20(2)25)16-13-10-11-14-17-23(27)28-19-21(26)18-24/h4-5,7-8,15,21,24,26H,3,6,9,12,14,17-19H2,1-2H3/b5-4-,8-7-,22-15-

> <SMILES>
C(CCC#CC#C/C(/OC(=O)C)=C/CC/C=C\C/C=C\CC)(=O)OCC(O)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
MG 20:8;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21777577

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
339600; 339600

> <CITATION>
15217284; 21858378

$$$$