LMPK12112172
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.5777    8.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5777    7.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4232    7.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2687    7.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2687    8.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4232    9.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1142    7.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9598    7.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9598    8.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1142    9.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1142    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048    9.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6665    8.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5280    9.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5280   10.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6665   10.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8048   10.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7961    7.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3896   10.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4232    6.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6665   11.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7974    7.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7860    5.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7731    3.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7839    5.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4137    3.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2903    6.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2910    6.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7853    5.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2790    4.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2782    4.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7719    3.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7753    3.6876    0.0000 O   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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
 16 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
 28 19  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  1     0  0
 33 34  2  0     0  0
M  END
> <LM_ID>
LMPK12112172

> <COMMON_NAME>
Quercetin 3-galacturonide

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O13

> <MASS>
478.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DUBCCGAQYVUYEU-RPCPWPBFSA-N

> <INCHI>
InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15+,16+,19-,21+/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11972446

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$