LMPK12050471
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5649    9.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5649    8.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3972    7.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    8.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    9.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3972    9.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619    7.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8941    8.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8941    9.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619    9.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7265    7.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7265    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6164    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5062    6.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5062    7.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6164    8.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619    6.9410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6164    9.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3387    8.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3387    6.3938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6345    7.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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  1  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
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050471

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DIBYNSQDXNQPSM-NSHDSACASA-N

> <INCHI>
InChI=1S/C16H14O6/c1-21-12-5-4-9(15(19)16(12)20)11-7-22-13-6-8(17)2-3-10(13)14(11)18/h2-6,11,17,19-20H,7H2,1H3/t11-/m0/s1

> <SMILES>
C1(O)C=CC2C(=O)[C@H](C3=C(O)C(O)=C(OC)C=C3)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197254

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14353662

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 499988

> <CITATION>
-

$$$$