LMPK12111249
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.2212    8.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2212    7.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    7.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8037    7.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8037    8.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    8.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5950    7.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3864    7.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3864    8.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5950    8.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1775    8.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0160    8.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8546    8.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8546    9.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0160   10.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1775    9.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    6.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5950    6.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6460   10.3710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4298    7.1183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6460    8.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0155    9.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4298    8.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4298   10.5269    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
  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
  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
  3 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
  2 20  1  0  0  0  0
 13 22  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111249

> <COMMON_NAME>
Cirsilineol

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

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Eupatrin; Anisomelin; Fastigenin

> <INCHI_KEY>
VKOSQMWSWLZQPA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3

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

> <KEGG_ID>
C10032

> <HMDB_ID>
-

> <CHEBI_ID>
3718

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162464

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 196725

> <CITATION>
-

$$$$