LMPK12111491
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.6615    7.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6615    6.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3113    6.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9611    6.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9611    7.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3113    8.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6110    6.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2608    6.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2608    7.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6110    8.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6110    5.8316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9106    8.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5728    7.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351    8.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351    8.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5728    9.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9106    8.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5728    9.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850    9.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7195    8.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850    7.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8965    8.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3113    5.8316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2998    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0116    8.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0116    9.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3113    8.8331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3229    9.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0116    6.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  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
 16 18  1  0  0  0  0
  3 23  1  0  0  0  0
  1 25  1  0  0  0  0
  6 27  1  0  0  0  0
  2 29  1  0  0  0  0
 15 19  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111491

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone

> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SLQBCWSRVWZOFU-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=C(O)C(OC)=C(OC)C=3)=CC(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258654

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$