LMPK12010014
  LIPID_MAPS_STRUCTURE_DATABASE

 46 50  0     0  0            999 V2000
    8.1949   13.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1949   12.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0961   11.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9973   12.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9973   13.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0961   13.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8986   11.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7999   12.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7999   13.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8986   13.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7793   13.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6808   13.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5821   13.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5821   14.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6808   15.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7793   14.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3896   15.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6124   11.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4632   13.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0718   11.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    8.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6210    8.8111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    7.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6210    6.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7195    7.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6210    5.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6930   10.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8469    8.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572    8.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1248   10.7825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4557    8.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6982   10.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2728    9.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2781    9.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    9.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7093    9.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5128   10.9706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1443    9.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537    7.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4145    8.5613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5076    9.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4174    9.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2345    9.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1390    8.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2292    7.9840    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
 14 17  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  1     0  0
 33 27  1  6     0  0
 34 28  1  1     0  0
 35 29  1  1     0  0
 46 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  0     0  0
 45 46  1  0     0  0
 42 27  1  1     0  0
 43 38  1  6     0  0
 44 39  1  1     0  0
 45 40  1  6     0  0
 32 18  1  1     0  0
 31 21  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010014

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Pelargonidin 3-O-[2-O-(beta-D-xylopyranosyl)-6-O-(malonyl)-beta-D-galactopyranoside]

> <FORMULA>
C29H31O17

> <MASS>
651.16

> <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>
FL7AAAGA0008

> <PUBCHEM_COMPOUND_ID>
101114163

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010014

$$$$