LMPK12113159
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4581   -6.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4581   -7.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2934   -7.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1287   -7.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1287   -6.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2934   -5.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9640   -7.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7993   -7.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7993   -6.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9640   -5.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9640   -8.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6345   -5.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4859   -6.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3372   -5.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3372   -4.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4859   -4.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6345   -4.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6345   -7.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228   -5.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2934   -8.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2934   -4.8713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1725   -4.3705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1594   -4.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0385   -4.8704    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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
 15 22  1  0  0  0  0
 21 23  1  0     0  0
 22 24  1  0     0  0
M  END
> <LM_ID>
LMPK12113159

> <COMMON_NAME>
Prudomestin

> <SYSTEMATIC_NAME>
3,5,7-Trihydroxy-4',8-dimethoxyflavone

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HLSIOUXODPWHFI-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030811

> <CHEBI_ID>
174447

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10404353

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3758

> <CITATION>
-

$$$$