LMPK12010294
  LIPID_MAPS_STRUCTURE_DATABASE

 45 49  0     0  0            999 V2000
    7.6160   12.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160   11.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4995   10.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3830   11.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3830   12.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4995   12.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2665   10.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1502   11.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1502   12.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2665   12.6358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0333   12.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9338   12.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8343   12.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8343   13.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9338   14.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0333   13.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7346   14.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4995    9.5755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7898   10.5463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9338   15.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7827    5.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2540    4.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6935    5.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1849    4.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3063    4.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7903    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7586    3.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2428    4.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7586    5.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7903    5.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2102    4.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7346   12.1159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2423    5.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7848   10.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9212    9.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0622    7.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    8.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7734    6.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3578    9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3552    9.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9238    8.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4942    8.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4968    7.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0672    7.0956    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
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 13 33  1  0  0  0  0
 30 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 22  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010294

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Delphinidin 3-caffeylglucoside

> <FORMULA>
C30H27O15

> <MASS>
627.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C16367

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
80474

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AAGGL0018

> <PUBCHEM_COMPOUND_ID>
11157896

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010294

$$$$