LMPK12110882
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   12.8635    8.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8635    7.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6551    7.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4466    7.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4466    8.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6551    8.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2384    7.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0300    7.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0300    8.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2384    8.9041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2384    6.3633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8214    8.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6282    8.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4348    8.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4348    9.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6282   10.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8214    9.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6551    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2416   10.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2416    8.4382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0540    8.9868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0146   10.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0398    6.9855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2992    5.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5781    7.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3204    8.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8249    8.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1864    8.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1793    7.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3062    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4458    7.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4529    8.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5923    9.0112    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 21  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>
LMPK12110882

> <COMMON_NAME>
Isoetin 7-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O12

> <MASS>
464.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NVUHNNHRBAHSFM-QNDFHXLGSA-N

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

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C(O)=CC(O)=C(O)C=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14841195

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$