LMPK12010350
  LIPID_MAPS_STRUCTURE_DATABASE

 45 49  0     0  0            999 V2000
    7.6336   13.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6336   12.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5350   11.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4363   12.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4363   13.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5350   13.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3376   11.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2390   12.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2390   13.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3376   13.6538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1399   13.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0586   13.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9773   13.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9773   14.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0586   15.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1399   14.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   13.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7481   15.1594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5350   10.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9081   11.4936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7400   13.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0586   16.1161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904   16.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8658    7.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7164   10.7087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8802    8.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3415    7.7599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3229   10.0267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946   10.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9469   10.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0279    9.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2584    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4061    9.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6367    8.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9357   12.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7860   11.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4133   10.0321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9571    9.6524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1343    8.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6397   10.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2493   11.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1765   11.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4900   10.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8804    9.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1940    8.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  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  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 33 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 30 25  1  6     0  0
 31 26  1  1     0  0
 32 27  1  6     0  0
 39 45  1  0     0  0
 44 38  1  0     0  0
 38 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 43  1  0     0  0
 43 44  1  0     0  0
 44 45  1  1     0  0
 40 25  1  1     0  0
 41 35  1  6     0  0
 42 36  1  1     0  0
 43 37  1  6     0  0
 24 34  1  0     0  0
 29 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010350

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Petunidin 3-sophoroside

> <FORMULA>
C28H33O17

> <MASS>
641.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AAHGL0002

> <PUBCHEM_COMPOUND_ID>
102574435

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMPK12010350

$$$$