LMPK12050333
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.1191    9.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1191    8.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437    7.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7683    8.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7683    9.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437    9.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5928    7.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4174    8.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4174    9.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5928    9.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2420    7.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2420    6.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1237    6.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0054    6.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0054    7.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1237    8.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5928    6.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8300    6.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1237    9.0852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   11.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437    6.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0027    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050333

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2',4'-Dihydroxy-5,7-dimethoxyisoflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SKVDVYIZINFQQM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-10-6-14(22-2)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-13(11)19/h3-8,18-19H,1-2H3

> <SMILES>
C1(OC)C=C(OC)C2C(=O)C(C3=C(O)C=C(O)C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14756217

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3869

> <CITATION>
-

$$$$