LMPK12010235
  LIPID_MAPS_STRUCTURE_DATABASE

 44 48  0     0  0            999 V2000
    7.6833   12.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6833   11.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5995   10.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5156   11.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5156   12.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5995   12.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4318   10.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3479   11.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3479   12.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4318   12.9139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2639   12.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1978   12.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1315   12.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1315   13.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1978   14.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2639   13.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7676   12.9136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0475   14.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5995    9.7408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1978   15.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0783   15.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2184   10.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1736    6.7439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0390   10.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2037    8.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6570    7.0966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6331    9.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4088    9.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2655    9.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3469    8.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5734    8.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167    8.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9433    7.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2647   11.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1246   11.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7551    9.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2862    8.9990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4747    7.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9671    9.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5799   10.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5119   10.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8270    9.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2143    8.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5295    7.9409    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>
Peonidin 3-sophoroside

> <SYSTEMATIC_NAME>
3,5,7,4'-Tetrahydroxy-3'-methoxyflavylium 3-glucosyl-(1->2)-glucoside

> <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

$$$$