LMPK12050153
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.5089   10.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5089    9.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3239    9.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390    9.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390   10.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3239   10.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9541    9.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7691    9.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7691   10.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9541   10.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5842    9.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5842    8.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4557    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3272    8.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3272    9.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4557    9.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9541    8.1744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6138   10.8181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6138    9.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3239   11.9391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5928   12.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4557    6.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5026    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1422    7.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4110    8.3712    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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
  6 21  1  0  0  0  0
 13 23  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050153

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
8,3',4'-Trimethoxy-6,7-methylenedioxyisoflavone

> <FORMULA>
C19H16O7

> <MASS>
356.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FQXYFOBPAVOMQY-UHFFFAOYSA-N

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

> <SMILES>
C12OCOC1=CC1C(=O)C(C3C=CC(OC)=C(OC)C=3)=COC=1C=2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257267

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53932

> <CITATION>
-

$$$$