LMPK12113277
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.2079    6.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2079    6.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8613    5.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5146    6.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5146    6.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8613    7.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1680    5.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8214    6.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8214    6.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1680    7.2634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1680    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    7.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1407    6.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8065    7.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8065    8.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1407    8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    8.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.2634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8613    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4599    8.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4770    7.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1407    9.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1578    9.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4599    6.8861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4599    5.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8613    8.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8784    8.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4748    5.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4919    6.3417    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
 26 27  1  0  0  0  0
 28 29  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
  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 24  1  0  0  0  0
  6 26  1  0  0  0  0
  8 28  1  0  0  0  0
 15 20  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113277

> <COMMON_NAME>
Conyzatin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O9

> <MASS>
404.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WFUOMXZWZFSZEM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O9/c1-24-12-6-9(7-13(25-2)18(12)27-4)16-20(28-5)15(23)14-10(21)8-11(22)17(26-3)19(14)29-16/h6-8,21-22H,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13916282

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$