LMPK12010014
  LIPID_MAPS_STRUCTURE_DATABASE

 46 50  0     0  0            999 V2000
    8.1020   13.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1020   12.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9930   11.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8840   12.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8840   13.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9930   13.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7751   11.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6662   12.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6662   13.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7751   13.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6345   13.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5258   13.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4169   13.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4169   14.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5258   15.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6345   14.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2152   15.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4695   11.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3786   13.5767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9690   10.9201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4257    8.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5346    8.7113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4257    7.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5346    6.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6434    7.1677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5346    5.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5378   10.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7013    8.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7342    8.0595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9987   10.6603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3486    8.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9868   10.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5543    9.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1337    9.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1503    8.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5828    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5993    9.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3370   10.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9500    9.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7616    7.7344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2512    8.4643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3432    9.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2427    9.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0505    9.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9561    8.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0566    7.8935    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://dev.lipidmaps.org/databases/lmsd/LMPK12010014

$$$$