LMPK12111483
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.7876    6.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7876    7.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0508    7.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3141    7.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3141    6.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0508    6.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    6.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2613    6.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2612    7.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    7.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9980    7.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7348    7.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4715    7.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4715    8.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7347    9.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9980    8.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5245    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2084    9.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2084    7.3745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6733    6.1538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6570    7.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0508    5.4478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0508    8.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0335    6.5231    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
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
  5 20  1  0  0  0  0
  4 21  1  0  0  0  0
  6 22  1  0  0  0  0
  3 23  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111483

> <COMMON_NAME>
Leucanthogenin

> <SYSTEMATIC_NAME>
5,8,3',4'-Tetrahydroxy-6,7-dimethoxyflavone

> <FORMULA>
C17H14O8

> <MASS>
346.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VZNIMRVJHRTTKA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O8/c1-23-16-13(21)12-10(20)6-11(7-3-4-8(18)9(19)5-7)25-15(12)14(22)17(16)24-2/h3-6,18-19,21-22H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15224752

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$