LMPK12010237
  LIPID_MAPS_STRUCTURE_DATABASE

 43 47  0     0  0            999 V2000
    7.7259   11.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7258   10.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766    9.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4273   10.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4274   11.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766   11.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2780    9.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1289   10.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1289   11.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2780   11.8689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9791   11.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8462   11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7132   11.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7132   12.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8462   13.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9791   12.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8754   11.8688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5239   13.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5767    8.9226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2256    9.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8462   14.2144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5595   14.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8461   11.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6985   10.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8739    8.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1873    8.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3176    6.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0966    9.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9335   10.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8616    9.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9490    8.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1121    8.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1996    7.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4408    4.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4031    4.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2475    6.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7184    7.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3013    6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8628    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8415    5.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2637    6.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7022    7.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1242    8.0162    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
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
 42 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  0     0  0
 41 42  1  0     0  0
 42 43  1  6     0  0
 38 27  1  1     0  0
 39 34  1  6     0  0
 40 35  1  6     0  0
 41 36  1  1     0  0
 28 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010237

> <COMMON_NAME>
Peonidin 3-rutinoside

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyloxy)-1-benzopyrylium

> <FORMULA>
C28H33O15

> <MASS>
609.18

> <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>
FL7AADGL0006

> <PUBCHEM_COMPOUND_ID>
90470732

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010237

$$$$