LMPK12110884
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.1105    9.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1105    8.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424    7.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7742    8.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7742    9.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424    9.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6055    7.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4371    8.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4371    9.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6055    9.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6055    7.0690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2684    9.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1160    9.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9636    9.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9636   10.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1160   11.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2684   10.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424    6.8594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8110   11.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8110    9.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605    9.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4211   11.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5702    7.9983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3667    5.8492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4074    4.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7278    7.7248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7404    5.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7109    8.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5904    7.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4871    6.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5075    6.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6279    6.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6482    6.2058    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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 21  1  1  0  0  0  0
 17 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 20  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12110884

> <COMMON_NAME>
Isoetin 5'-glucoside

> <SYSTEMATIC_NAME>
5,7,2',4',5'-Pentahydroxyflavone 5'-glucoside

> <FORMULA>
C21H20O12

> <MASS>
464.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CRQGZKQQBXIWSE-QNDFHXLGSA-N

> <INCHI>
InChI=1S/C21H20O12/c22-6-16-18(28)19(29)20(30)21(33-16)32-14-3-8(9(24)4-10(14)25)13-5-12(27)17-11(26)1-7(23)2-15(17)31-13/h1-5,16,18-26,28-30H,6H2/t16-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C(O)=CC(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14104187

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4219

> <CITATION>
-

$$$$