LMPK02000058
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  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
  -11.0751    2.6625    0.0000 O   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
  -11.0751    0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9411    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9411    2.1625    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
  -12.8071    0.6625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -12.8071    2.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6732    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5230    3.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  2  0     0  0
  5  4  1  6     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  4  1  6     0  0
 15  5  1  0     0  0
 14 15  1  0     0  0
 13 14  1  0     0  0
 12 13  1  0     0  0
 10 12  1  0     0  0
  6 11  1  6     0  0
 10 11  1  6     0  0
  1 10  1  0     0  0
  3 16  1  1     0  0
  8 17  1  1     0  0
  9 18  1  0     0  0
 18 19  1  0     0  0
 14 20  1  6     0  0
 13 20  1  6     0  0
M  END
> <LM_ID>
LMPK02000058

> <COMMON_NAME>
Thuwalallene B

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H20O3Br2

> <MASS>
405.98

> <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>
164735127

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK02000058

$$$$