LMGL01030010
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
    1.7474    0.1855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8739    0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8736    0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474    0.1855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5049   -0.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -0.6884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6273    0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071    0.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3869    0.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2668   -0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1467   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0265   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9064   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7863   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6661   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5459   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4258   -0.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3055   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1854   -0.3198    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
M  END
> <LM_ID>
LMGL01030010

> <COMMON_NAME>
Raspailyne B2

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

> <FORMULA>
C16H26O3

> <MASS>
266.19

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Monoradylglycerols [GL01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GTUVAFBOEGIOIW-BJQMMIFBSA-N

> <INCHI>
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17/h8-9,12-13,16-18H,2-7,14-15H2,1H3/b9-8-,13-12-/t16-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
MG O-13:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21591333

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
942655

> <CITATION>
9917297

$$$$