LMPK12111453
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.5248    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    7.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    7.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570    8.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    9.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    8.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    9.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549   10.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888   10.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228   10.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588   10.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7209   10.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.8606    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
  6 19  1  0  0  0  0
  5 20  1  0  0  0  0
  3 22  1  0  0  0  0
 20 21  1  0  0  0  0
 14 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111453

> <COMMON_NAME>
Isothymusin

> <SYSTEMATIC_NAME>
5,8,4'-trihydroxy-6,7-dimethoxyflavone

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5,8-Dihydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
IODGQWWTJYDCLN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
630253

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 39173

> <CITATION>
-

$$$$