LMPK12050268
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5571    9.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5571    8.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    7.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2062    8.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2062    9.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    9.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8554    8.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8554    9.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0308    9.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6799    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6799    6.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5616    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4433    6.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4433    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5616    8.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307    6.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3816    6.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2679    8.3637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3269    7.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2679    6.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5515    7.1346    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
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050268

> <COMMON_NAME>
Pratensein 3'-O-methyl ether

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-3',4'-dimethoxyisoflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KRJPWSDKKBLTLE-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5408543

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53838

> <CITATION>
-

$$$$