LMPK12050118
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.1599   10.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1599    9.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694    9.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7790    9.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7790   10.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694   11.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5884    9.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3980    9.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3980   10.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5884   11.0286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2074    9.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2074    8.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0728    7.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9383    8.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9383    9.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0728    9.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5884    8.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8889    7.8510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4763    8.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8889    9.4682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   11.0610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   12.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0728    6.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1125    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.9262    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 21  1  0  0  0  0
 13 23  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050118

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6,7,3'-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>
BEWUEWUDIYSCEX-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)=CC2OC=C(C3C=C4OCOC4=C(OC)C=3)C(=O)C=2C=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23246911

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 149663

> <CITATION>
-

$$$$