LMPK12010138
  LIPID_MAPS_STRUCTURE_DATABASE

 44 47  0     0  0            999 V2000
    7.6034   11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034   10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777   10.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3518   10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3518   11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777   12.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2259   10.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999   10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999   11.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2259   12.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9736   12.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8647   11.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7556   12.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7556   13.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8647   13.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9736   13.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7297   12.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6463   13.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777    9.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8131   10.2856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8647   14.7926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1622    8.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1622    7.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3782    7.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0978    7.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8718    7.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8718    8.7276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2168    8.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2168    9.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0378    7.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9420    8.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7733    7.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9420    9.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7418    9.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2459    7.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8227    6.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3527    8.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0658    9.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0301    9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2816    8.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5699    7.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6056    7.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8940    6.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9105    7.1280    0.0000 O   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  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  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  1     0  0
 38 20  1  1     0  0
 39 34  1  6     0  0
 40 35  1  1     0  0
 41 36  1  6     0  0
 35 28  1  0  0  0  0
 43 44  1  0     0  0
 26 44  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010138

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Cyanidin 3-(3'',6''-dimalonylglucoside)

> <FORMULA>
C27H25O17

> <MASS>
621.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C16289

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
80425

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AACGL0029

> <PUBCHEM_COMPOUND_ID>
23724697

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12010138

$$$$