LMPK12050435
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    7.5536   10.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5536    9.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3746    8.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    9.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957   10.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3746   10.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0168    8.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8378    9.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8378   10.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0168   10.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6590    8.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6590    7.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5369    7.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4148    7.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4148    8.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5369    9.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0168    7.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7476    6.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7556    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1681    6.9865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   10.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3746    7.7306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    7.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3746   11.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528   12.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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
  1 21  1  0  0  0  0
  3 22  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050435

> <COMMON_NAME>
Platycarpanetin

> <SYSTEMATIC_NAME>
7-Hydroxy-5,8-dimethoxy-3',4'-methylenedioxyisoflavone

> <FORMULA>
C18H14O7

> <MASS>
342.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TUUUCKKLTDTANU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O7/c1-21-14-6-11(19)17(22-2)18-15(14)16(20)10(7-23-18)9-3-4-12-13(5-9)25-8-24-12/h3-7,19H,8H2,1-2H3

> <SMILES>
C1(O)=C(OC)C2OC=C(C3C=CC4OCOC=4C=3)C(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257369

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2816372

> <CITATION>
-

$$$$