LMPK12050462
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0     0  0            999 V2000
    6.9156   10.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9156    9.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7707    9.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6258    9.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6258   10.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7707   11.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4807    9.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3360    9.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3360   10.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4807   11.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1909    9.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1909    8.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9839    7.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7769    8.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7769    9.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9839    9.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3360    7.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4807    8.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6319    7.7692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6319    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  1 17  1  0  0  0  0
 12 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050462

> <COMMON_NAME>
Vestitone

> <SYSTEMATIC_NAME>
7,2'-Dihydroxy-4'-methoxyisoflavanone

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WQCJOKYOIJVEFN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3

> <SMILES>
C1(O)=CC2OCC(C3=CC=C(OC)C=C3O)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031620

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171769

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3882

> <CITATION>
-

$$$$