LMPK12110522
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
   14.5114   10.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101   11.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7085   10.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7085    9.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101    9.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    9.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8070   11.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9056   10.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9056    9.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8070    9.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0909   11.2730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8070    8.3081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101    8.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4978   11.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3991   10.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3006   11.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3006   12.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3991   12.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4978   12.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0768   12.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1261   10.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8873    7.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1538    6.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4256    7.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1536    9.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0232    9.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0232    8.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1536    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2897    8.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2897    9.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4256    9.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6952    6.9410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8554    4.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2101    3.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1435    6.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9686    6.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8724    6.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9515    5.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1288    4.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2250    5.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4022    4.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0232   10.3007    0.0000 H   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  2  0  0  0  0
  1 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 30 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  6     0  0
 27 22  1  1     0  0
 28 23  2  0     0  0
 40 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  6     0  0
 36 22  1  1     0  0
 37 32  1  6     0  0
 38 33  1  6     0  0
 39 34  1  1     0  0
 26  9  1  0     0  0
 29 24  1  1     0  0
 26 42  1  1     0  0
M  END
> <LM_ID>
LMPK12110522

> <COMMON_NAME>
Cassiaoccidentalin B

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H28O14

> <MASS>
576.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
70205

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL3FACCS0054

> <PUBCHEM_COMPOUND_ID>
70698280

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12110522

$$$$