LMPK12050450
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.6789    8.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6789    7.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3579    7.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0368    7.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0368    8.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3579    9.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157    7.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3947    7.9367    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3947    8.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157    9.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0736    7.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0736    6.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7995    6.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    6.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    7.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7995    7.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157    6.7607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2045    6.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2614    6.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7995    5.5036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6715    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  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
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050450

> <COMMON_NAME>
3'-Methoxydihydroformononetin

> <SYSTEMATIC_NAME>
7-Hydroxy-3',4'-dimethoxyisoflavanone

> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SDVPVQSRXRGBGT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-8,13,18H,9H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0130378

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14235238

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$