LMPK12112535
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.8580    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    7.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    7.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7159    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    7.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    8.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7159    8.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    8.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5725    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    5.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1448    8.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1448    7.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8594    7.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1448    9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7159    6.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    5.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    8.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
  8 19  1  0  0  0  0
 14 20  1  0  0  0  0
  6 21  1  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112535

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5-Hydroxy-3,7,2',3',4',6'-hexamethoxyflavone

> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WEFAEVMPXFOSHQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O9/c1-24-10-7-11(22)15-13(8-10)30-20(21(29-6)17(15)23)16-12(25-2)9-14(26-3)18(27-4)19(16)28-5/h7-9,22H,1-6H3

> <SMILES>
C12C(=O)C(OC)=C(C3C(OC)=CC(OC)=C(OC)C=3OC)OC=1C=C(OC)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259524

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$