LMPK12010036
  LIPID_MAPS_STRUCTURE_DATABASE

 45 49  0     0  0            999 V2000
   10.3534   11.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3534   10.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2364    9.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1193   10.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1193   11.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2364   11.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0024    9.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8853   10.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8853   11.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0024   11.5842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7680   11.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6678   11.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5678   11.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5678   12.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6678   13.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7680   12.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4708   11.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4675   13.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2364    8.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5457    8.9112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3967    6.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7489    5.3947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9461    6.2537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5083    8.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772    7.5425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4152    7.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4953    6.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6686    6.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7673    6.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6872    7.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7858    8.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4312    9.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9553    8.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5922    6.3211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1271    7.2779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5723    5.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3068    8.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2495    8.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0127    7.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8310    6.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8883    6.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7067    5.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5706    4.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4358    3.6468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7038    3.6497    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
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 26 19  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 36 42  1  0     0  0
 41 35  1  0     0  0
 35 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  1     0  0
 37 20  1  1     0  0
 38 32  1  6     0  0
 39 33  1  1     0  0
 40 34  1  6     0  0
 36 43  1  0     0  0
 43 44  2  0     0  0
 43 45  1  0     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010036

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Pelargonidin 3-(6''-acetylglucoside)-5-glucoside

> <FORMULA>
C29H33O16

> <MASS>
637.18

> <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>
FL7AAAGL0022

> <PUBCHEM_COMPOUND_ID>
14779721

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010036

$$$$