LMPK12050503
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    6.9021   10.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9021    9.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7437    8.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    9.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851   10.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7437   10.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4266    8.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2682    9.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2682   10.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4266   10.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1096    8.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1096    7.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0094    7.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9092    7.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9092    8.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0094    9.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4266    7.8617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7508    7.3087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7437    7.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2682    7.3087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2682    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050503

> <COMMON_NAME>
Isoferreirin

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-2'-methoxyisoflavanone

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VODZWHSRITUHNI-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OCC(C3=CC=C(O)C=C3OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029491

> <CHEBI_ID>
174882

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156743

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3091605

> <CITATION>
-

$$$$