LMPK12010436
  LIPID_MAPS_STRUCTURE_DATABASE

 45 50  0     0  0            999 V2000
    9.3280    9.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2503   10.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2503   11.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3280   11.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4060   11.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4060   10.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3280   12.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4060   13.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4838   12.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4838   11.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1724   11.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1724   12.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2503   13.4636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1990   13.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1033   13.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0078   13.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0078   14.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1033   15.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1990   14.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   13.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3280    8.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0094   11.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1033   16.1357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0088   16.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9132   15.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9132   13.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8186   13.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4228    8.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4228    7.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3280    6.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2335    7.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2335    8.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3280    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7803    6.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8949   12.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4191   10.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0559    8.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5908    9.8115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0360    7.6819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7706   10.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7133   11.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4764   10.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2948    9.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3521    9.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1704    8.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  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  1  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
  3 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  9 20  1  0  0  0  0
  1 21  1  0  0  0  0
 11 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 17 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  2  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 21  1  0  0  0  0
 30 33  1  0  0  0  0
 31 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 22  1  1     0  0
 41 35  1  6     0  0
 42 36  1  1     0  0
 43 37  1  6     0  0
M  CHG  1  13   1
M  END
> <LM_ID>
LMPK12010436

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Malvidin 3-glucoside-4-vinylcatechol

> <FORMULA>
C31H29O14

> <MASS>
625.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029240

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7ARXGL0005

> <PUBCHEM_COMPOUND_ID>
44257036

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010436

$$$$