LMGL01030001
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0     0  0            999 V2000
    1.7526    0.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765    0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8763    0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7526    0.1861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5065   -0.6904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066   -0.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352    0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5177    0.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4002    0.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2828   -0.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1654   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0479   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9304   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8129   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6954   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5780   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4605   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3430   -0.8251    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
M  END
> <LM_ID>
LMGL01030001

> <COMMON_NAME>
Petroraspailyne A1

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

> <FORMULA>
C15H24O3

> <MASS>
252.17

> <CATEGORY>
Glycerolipids [GL]

> <MAIN_CLASS>
Monoradylglycerols [GL01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VXUJPAMTNKYUJA-BXHGANSESA-N

> <INCHI>
InChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h7-8,11-12,15-17H,2-6,13-14H2,1H3/b8-7-,12-11-/t15-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
MG O-12:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10332462

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2627599

> <CITATION>
9917297

$$$$