LMPK12050466
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
    6.8953   10.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8953    9.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7301    8.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5647    9.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5647   10.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7301   10.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3994    8.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2341    9.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2341   10.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3994   10.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0689    8.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0689    7.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9613    7.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8537    7.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8537    8.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9613    9.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3994    7.8472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8337    7.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4394    8.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8337    9.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2341    7.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2341    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050466

> <COMMON_NAME>
Onogenin

> <SYSTEMATIC_NAME>
7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DZXJXYRRENIUNP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-20-13-6-16-15(22-8-23-16)5-11(13)12-7-21-14-4-9(18)2-3-10(14)17(12)19/h2-6,12,18H,7-8H2,1H3

> <SMILES>
C1(O)=CC2OCC(C3=CC4OCOC=4C=C3OC)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10470862

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 183292

> <CITATION>
11858751

$$$$