LMPK12010037
  LIPID_MAPS_STRUCTURE_DATABASE

 45 49  0     0  0            999 V2000
   10.4537   10.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4537    9.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3440    8.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2342    9.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2342   10.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3440   10.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1248    8.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0151    9.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0151   10.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1248   10.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9050   10.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8126   10.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7200   10.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7200   12.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8126   12.5639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9050   12.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5637   10.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6271   12.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3440    7.9086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6904    8.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1835   10.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4983    9.7569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3585   11.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6589    8.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3301    6.5932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0338    5.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3773    7.1353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5641    4.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0265    7.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0107    7.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3459    6.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6977    6.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7135    6.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0653    5.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9825    5.9401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0967    5.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5777    6.5653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6388    8.2218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4037    7.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230    6.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2773    6.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5179    6.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6987    7.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9392    8.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0313    9.5295    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
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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  0     0  0
 33 34  1  1     0  0
 29 20  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 43 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  0     0  0
 43 44  1  1     0  0
 39 19  1  1     0  0
 40 35  1  6     0  0
 41 36  1  1     0  0
 42 37  1  6     0  0
 44 45  1  0     0  0
 45 21  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010037

> <COMMON_NAME>


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

> <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>
FL7AAAGL0023

> <PUBCHEM_COMPOUND_ID>
101682297

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010037

$$$$