LMPK12113009
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.9150    7.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9150    8.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2482    9.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5813    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5813    7.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2482    7.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9143    9.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2475    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2476    7.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9143    7.5466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9143    9.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5807    7.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9009    7.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2213    7.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2214    6.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9012    6.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5807    6.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2482    9.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.3767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5819    7.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5819    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5806    9.0866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5806   10.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5819    9.0867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5819   10.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9012    5.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8631    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
  8 22  1  0  0  0  0
  2 24  1  0  0  0  0
 16 26  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113009

> <COMMON_NAME>
Chrysosplenetin

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-3,6,7,3'-tetramethoxyflavone

> <FORMULA>
C19H18O8

> <MASS>
374.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Quercetagetin 3,6,7,3'-tetramethyl ether

> <INCHI_KEY>
NBVTYGIYKCPHQN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O8/c1-23-11-7-9(5-6-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3

> <SMILES>
C1(OC)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
C10030

> <HMDB_ID>
-

> <CHEBI_ID>
3689

> <ABBREVIATION>
-

> <CAYMAN_ID>
30625

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281608

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$