LMPK12010234
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
    7.6251   12.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6251   11.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178   10.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4105   11.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4105   12.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178   12.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3034   10.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1961   11.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1961   12.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3034   12.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0886   12.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9984   12.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9083   12.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9083   13.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9984   14.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0886   13.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5783   14.2425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5178    9.6085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1213   10.0668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9910   15.1477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7589   15.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2454    9.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9299    7.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6444    6.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9733    8.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1783    5.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6171    9.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6025    8.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9444    8.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3016    7.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3162    7.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6734    6.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4049   11.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3977   11.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2266    9.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6585    8.7425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2396    9.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8193   10.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8181   10.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2324    9.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6526    8.6501    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
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
 42 37  1  0     0  0
 37 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
 38 23  1  1     0  0
 39 34  1  6     0  0
 40 35  1  1     0  0
 41 36  1  6     0  0
 28 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010234

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Peonidin 3-sambubioside

> <FORMULA>
C27H31O15

> <MASS>
595.17

> <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>
FL7AADGL0003

> <PUBCHEM_COMPOUND_ID>
101006858

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010234

$$$$