LMPK12010245
  LIPID_MAPS_STRUCTURE_DATABASE

 45 49  0     0  0            999 V2000
    7.5038   15.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5038   14.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065   13.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094   14.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094   15.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065   15.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2122   13.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1149   14.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1149   15.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2122   15.6095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0174   15.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9376   15.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8576   15.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8576   16.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9376   17.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0174   16.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6013   15.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6422   17.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065   12.8372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9412   13.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0836    8.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7125    7.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1851    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4315    7.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3248    8.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6251    7.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6695    7.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4134    8.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1130    9.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0685    9.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4586    8.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9706    6.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9376   17.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6317   18.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6336   12.4349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6196   10.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9158    9.5074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0808   11.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3921    9.5343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9355   12.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7817   11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7734   10.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9215   10.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0753   10.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2234   10.5006    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
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 27 32  1  0  0  0  0
 15 33  1  0  0  0  0
 33 34  1  0  0  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 20  1  1     0  0
 41 35  1  6     0  0
 42 36  1  1     0  0
 43 37  1  6     0  0
 39 21  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010245

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Peonidin 3-(6''-caffeylgucoside)

> <FORMULA>
C31H29O14

> <MASS>
625.16

> <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>
FL7AADGL0014

> <PUBCHEM_COMPOUND_ID>
11388006

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010245

$$$$