LMPK12050360
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0     0  0            999 V2000
    7.1140   10.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140    9.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9335    8.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7531    9.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7531   10.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9335   10.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5726    8.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3921    9.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3921   10.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5726   10.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2116    8.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2116    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0878    7.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9641    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9641    8.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0878    9.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5726    7.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2981    6.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3043    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7159    6.9848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9335    7.7272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9860    7.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   12.0392    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
  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
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
  3 21  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050360

> <COMMON_NAME>
Derrustone

> <SYSTEMATIC_NAME>
5,7-Dimethoxy-3',4'-methylenedioxyisoflavone

> <FORMULA>
C18H14O6

> <MASS>
326.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IMPPSJRGMZYGJW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O6/c1-20-11-6-15(21-2)17-16(7-11)22-8-12(18(17)19)10-3-4-13-14(5-10)24-9-23-13/h3-8H,9H2,1-2H3

> <SMILES>
C1(OC)=CC2OC=C(C3C=CC4OCOC=4C=3)C(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
114196

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
629853

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100139

> <CITATION>
-

$$$$