LMPK12050451
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    6.8938   10.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8938    9.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7270    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5603    9.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5603   10.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7270   11.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3936    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2268    9.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2268   10.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3936   11.1080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0600    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0600    8.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9509    7.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8418    8.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8418    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9509    9.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.1080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3936    8.2214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750    7.6739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750    9.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7451    9.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9509    6.6787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0211    6.0606    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  1  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
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050451

> <COMMON_NAME>


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

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ARALMKJBKZDUMB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-21-14-5-9(6-15(22-2)17(14)20)12-8-23-13-7-10(18)3-4-11(13)16(12)19/h3-7,12,18,20H,8H2,1-2H3

> <SMILES>
C1(O)C=CC2C(=O)C(C3=CC(OC)=C(O)C(OC)=C3)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14427398

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 115009

> <CITATION>
-

$$$$