LMGL01030005
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
    1.7397    0.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8700    0.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8698    0.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7397    0.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5027   -0.6853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5028   -0.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6158    0.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4918    0.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3677    0.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2437   -0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1197   -0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9959   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8719   -0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7479   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6239   -0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4998   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3759   -0.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2519   -0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3759   -1.8190    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  1  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
 18 20  1  0     0  0
M  END
> <LM_ID>
LMGL01030005

> <COMMON_NAME>
Petroraspailyne B3

> <SYSTEMATIC_NAME>
1-O-(11-methyl-1Z-dodecen-3-ynyl)-sn-glycerol

> <FORMULA>
C16H28O3

> <MASS>
268.20

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Monoradylglycerols [GL01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IOWSKCNRTHBIOJ-DMIOIOJGSA-N

> <INCHI>
InChI=1S/C16H28O3/c1-15(2)11-9-7-5-3-4-6-8-10-12-19-14-16(18)13-17/h10,12,15-18H,3-5,7,9,11,13-14H2,1-2H3/b12-10-/t16-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
MG O-13:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10587988

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2627599

> <CITATION>
9917297

$$$$