LMPK02000060
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0     0  0            999 V2000
   -8.7113   -0.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3545   -0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9977   -1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2091    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2091    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5057    0.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5056    0.4590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8022    1.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8022    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5057    2.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5056    2.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9637   -1.3495    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -11.2918    0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7918    1.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1227    2.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7864    1.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1931    2.8442    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -13.3742    1.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3687    1.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  2  0     0  0
  4  5  1  0     0  0
 11  4  1  0     0  0
 10 11  1  0     0  0
  9 10  2  0     0  0
  8  9  1  0     0  0
  6  8  1  0     0  0
  5  7  1  6     0  0
  6  7  1  6     0  0
  1  6  1  0     0  0
  3 12  1  1     0  0
  5 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  6     0  0
  4 15  1  6     0  0
 14 16  1  0     0  0
 16 17  1  0     0  0
 16 18  1  0     0  0
 18 19  1  0     0  0
M  END
> <LM_ID>
LMPK02000060

> <COMMON_NAME>
Thuwalallene E

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H20O2Br2

> <MASS>
389.98

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Halogenated acetogenins [PK02]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121509

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK02000060

$$$$