LMPK12050147
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.1526   10.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1526    9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9550    8.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7576    9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7576   10.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9550   10.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5600    8.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3624    9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3624   10.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5600   10.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1650    8.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1650    7.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0229    7.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8810    7.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8810    8.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0229    9.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5600    7.8102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8232    7.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4055    8.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8232    9.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9550   11.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2041   12.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.6219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   12.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3069    7.2506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3069    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  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
  8 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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 23  1  0  0  0  0
 12 25  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050147

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,8,2'-Trimethoxy-4',5'-methylenedioxyisoflavone

> <FORMULA>
C19H16O7

> <MASS>
356.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XSXRMXFZPXUKJE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H16O7/c1-21-13-5-4-10-17(20)12(8-24-18(10)19(13)23-3)11-6-15-16(26-9-25-15)7-14(11)22-2/h4-8H,9H2,1-3H3

> <SMILES>
C1(OC)=C(OC)C2OC=C(C3C=C4OCOC4=CC=3OC)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676207

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3040932

> <CITATION>
-

$$$$