LMGL01010042
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0  0  0  0  0  0  0  0999 V2000
   17.4446   -8.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3183   -7.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4446   -9.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5645   -7.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6840   -8.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8035   -7.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9230   -7.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0424   -6.9308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1619   -6.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2813   -5.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4008   -6.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5203   -5.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6397   -6.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7592   -5.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8788   -5.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9982   -6.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1177   -5.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2371   -5.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3566   -6.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761   -5.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2814   -4.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0134   -4.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1474   -4.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1475   -3.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1843   -8.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0504   -7.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1842   -9.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3181   -9.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0505   -6.9400    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
  2 25  1  0     0  0
 25 26  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 26 29  1  0     0  0
M  END
> <LM_ID>
LMGL01010042

> <COMMON_NAME>
Peyssonenyne B

> <SYSTEMATIC_NAME>
2-(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>
RVSNTLVXJQULRJ-XUKRHBIOSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
MG 20:8;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54577195

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
339600; 339600

> <CITATION>
15217284; 21858378

$$$$