LMPK12120176
  LIPID_MAPS_STRUCTURE_DATABASE

 47 50  0     0  0            999 V2000
   15.9285    9.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9285    8.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8413    8.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7540    8.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7540    9.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8413   10.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6670    8.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5799    8.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5799    9.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4927   10.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4054    9.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3184   10.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3184   11.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4054   11.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4927   11.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6670    7.1669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8413    7.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0750   10.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1887   11.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9862    8.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4054   12.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1008    8.6264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    8.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1027   10.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6001   11.2265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1192   11.9114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1030   10.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6027    9.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5993    9.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1013   10.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6016   11.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1034   12.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8644    7.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4280    6.7737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8116    7.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2853    6.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2327    6.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7057    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1246    6.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    5.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7057    5.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0720    6.8384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1253    8.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1225   11.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5534   11.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6950   12.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
  2 20  1  0  0  0  0
 14 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 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  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
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 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 22 33  1  0  0  0  0
 26 45  1  0     0  0
 45 46  2  0     0  0
 45 47  1  0     0  0
 27 18  1  1     0  0
M  END
> <LM_ID>
LMPK12120176

> <COMMON_NAME>
Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)

> <SYSTEMATIC_NAME>
3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)

> <FORMULA>
C32H30O15

> <MASS>
654.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL1C3CGS0022

> <PUBCHEM_COMPOUND_ID>
15755764

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12120176

$$$$