LMPK12112510
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.5619    8.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5619    7.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3916    7.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2215    7.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2215    8.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3916    9.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0511    7.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8807    7.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8807    8.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0511    9.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0511    6.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7103    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5560    8.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4015    9.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4015   10.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5560   10.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7103   10.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8475    7.0168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2469   10.7391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3916    6.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5560   11.7154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8649   10.7391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4951    8.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3032    7.2942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4606    5.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8319    5.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7790    3.9066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7500    6.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5738    7.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4795    6.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5581    5.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7344    5.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8131    4.1671    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  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
 17 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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  0     0  0
 33 34  1  1     0  0
 29 19  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12112510

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,5,7,2',3',4'-Hexahydroxyflavone 3-glucoside

> <FORMULA>
C21H20O13

> <MASS>
480.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CMTYUVVBICETNN-FBRKSVJRSA-N

> <INCHI>
InChI=1S/C21H20O13/c22-5-11-15(28)17(30)18(31)21(33-11)34-20-16(29)12-9(25)3-6(23)4-10(12)32-19(20)7-1-2-8(24)14(27)13(7)26/h1-4,11,15,17-18,21-28,30-31H,5H2/t11-,15-,17+,18-,21+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163103687

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$