LMGL01030014
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
    1.7511    0.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8758    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7511    0.1859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060   -0.6899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5062   -0.6899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6329    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5145    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3961    0.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2779   -0.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1597   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0414   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9231   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8049   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6866   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5682   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4498   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3314   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2132   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2175    0.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0770   -0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  6  0  0  0
  3  6  1  1  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0     0  0
 20 22  1  0     0  0
M  END
> <LM_ID>
LMGL01030014

> <COMMON_NAME>
Isoraspailyne B

> <SYSTEMATIC_NAME>
1-O-(13-methyl-tetradeca-1Z,5Z-dien-3-ynyl)-sn-glycerol

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Monoradylglycerols [GL01]

> <SUB_CLASS>
Mono-(1Z-alkenyl)-glycerols [GL0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AAYSBNXVIDAGPI-CJJJYPBWSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-17(2)13-11-9-7-5-3-4-6-8-10-12-14-21-16-18(20)15-19/h4,6,12,14,17-20H,3,5,7,9,11,13,15-16H2,1-2H3/b6-4-,14-12-/t18-/m0/s1

> <SMILES>
OC[C@]([H])(O)CO/C=C\C#C/C=C\CCCCCCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
MG O-15:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21591337

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
942655

> <CITATION>
9917297

$$$$