LMPK12111304
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.5836   -6.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5836   -7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4090   -7.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2345   -7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2345   -6.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4090   -5.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0599   -7.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8854   -7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8854   -6.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0599   -5.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0599   -8.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7110   -5.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5522   -6.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3934   -5.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3934   -4.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5522   -4.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7110   -4.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4090   -8.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5522   -7.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7581   -5.8428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4090   -4.8896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7581   -4.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2751   -4.3896    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
  3 18  1  0  0  0  0
 13 19  1  0  0  0  0
  6 21  1  0  0  0  0
  1 20  1  0  0  0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
M  END
> <LM_ID>
LMPK12111304

> <COMMON_NAME>
Skullcapflavone I

> <SYSTEMATIC_NAME>
5,2'-Dihydroxy-7,8-dimethoxyflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Panicolin

> <INCHI_KEY>
CZRGNFVQUYWGKP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-14-8-12(20)15-11(19)7-13(23-17(15)16(14)22-2)9-5-3-4-6-10(9)18/h3-8,18,20H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320399

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 65409

> <CITATION>
480145

$$$$