LMPK12111465
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   12.0664    8.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664    7.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8905    7.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7145    7.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7145    8.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8905    9.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5386    7.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3629    7.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3629    8.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5386    9.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5386    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2028    9.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0426    8.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8825    9.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8825   10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0426   10.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2028   10.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2414    9.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7224   10.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0426   11.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8905    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1787    7.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8905   10.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4786   10.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9441    7.8256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9753    8.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3080   10.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9212   10.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6048   11.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2591    9.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6104    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6238    8.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2903    9.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9389   10.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6053   11.5934    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
 18  1  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
  3 21  1  0  0  0  0
  2 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 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  0     0  0
 34 35  1  1     0  0
 30 18  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12111465

> <COMMON_NAME>
Pleurostimin 7-glucoside

> <SYSTEMATIC_NAME>
5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-glucoside

> <FORMULA>
C22H22O13

> <MASS>
494.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BXYRUPOLNKJLJO-DCAXLZGCSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-21-19-13(10(26)5-11(33-19)7-2-3-8(24)9(25)4-7)15(28)17(30)20(21)35-22-18(31)16(29)14(27)12(6-23)34-22/h2-5,12,14,16,18,22-25,27-31H,6H2,1H3/t12-,14-,16+,18-,22+/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(OC)C2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258647

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$