LMPK12010235
  LIPID_MAPS_STRUCTURE_DATABASE

 44 48  0     0  0            999 V2000
    7.6436   12.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6436   11.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5550   10.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4664   11.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4664   12.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5550   12.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3778   10.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2892   11.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2892   12.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3778   12.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2005   12.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1295   12.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0584   12.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0584   13.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1295   14.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2005   13.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9697   14.4459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5550    9.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1295   15.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0055   15.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1552   10.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1158    6.7090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9664   10.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1302    8.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5915    7.0599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5729    9.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3446    9.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1969    9.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2779    8.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5084    7.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6561    8.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    7.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1857   11.4411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0360   11.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6633    9.3322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2071    8.9525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3843    7.8982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8897    9.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4993   10.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4265   10.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7400    9.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1304    8.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4440    7.8998    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
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0     0  0
 32 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  0     0  0
 31 32  1  0     0  0
 32 33  1  1     0  0
 29 24  1  6     0  0
 30 25  1  1     0  0
 31 26  1  6     0  0
 38 44  1  0     0  0
 43 37  1  0     0  0
 37 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 24  1  1     0  0
 40 34  1  6     0  0
 41 35  1  1     0  0
 42 36  1  6     0  0
 23 33  1  0     0  0
 28 22  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010235

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Peonidin 3-sophoroside

> <FORMULA>
C28H33O16

> <MASS>
625.18

> <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>
FL7AADGL0004

> <PUBCHEM_COMPOUND_ID>
14861222

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010235

$$$$