LMPK12111495
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.7808   -6.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7808   -7.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5927   -7.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4046   -7.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4046   -6.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5927   -6.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2163   -7.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0281   -7.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0281   -6.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2163   -6.1035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2163   -8.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8400   -6.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6675   -6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4948   -6.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4948   -5.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6675   -4.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8400   -5.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3801   -6.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8794   -5.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3024   -4.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5927   -5.1661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5927   -8.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9689   -6.1035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6675   -3.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9689   -7.9784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7267   -9.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1029   -7.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9690   -5.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4587   -4.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5335   -3.2329    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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  6 21  1  0  0  0  0
  3 22  1  0  0  0  0
  1 23  1  0  0  0  0
 16 24  1  0  0  0  0
  2 25  1  0  0  0  0
 22 26  1  0     0  0
 25 27  1  0     0  0
 23 28  1  0     0  0
 21 29  1  0     0  0
 24 30  1  0     0  0
M  END
> <LM_ID>
LMPK12111495

> <COMMON_NAME>
Eupalestin

> <SYSTEMATIC_NAME>
5,6,7,8,3'-pentamethoxy-4',5'-methylenedioxyflavone

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Conyzorigun; 5,6,7,8-Tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one

> <INCHI_KEY>
YPFLOZZPZVKXBX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O9/c1-23-13-6-10(7-14-16(13)29-9-28-14)12-8-11(22)15-17(24-2)19(25-3)21(27-5)20(26-4)18(15)30-12/h6-8H,9H2,1-5H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=C(OC)C4OCOC=4C=3)=CC(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
331149

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 102761

> <CITATION>
-

$$$$