LMPK12050140
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5487    9.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5487    8.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3648    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1810    8.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1810    9.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3648   10.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9971    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8132    8.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8132    9.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9971   10.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6293    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6293    7.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5019    7.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3744    7.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3744    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5019    9.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9971    7.5720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5019    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3648   11.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1905    7.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2309   11.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1906    6.0356    0.0000 C   0  0  0  0  0  0  0  0  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  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
  6 20  1  0  0  0  0
 14 21  1  0  0  0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
M  END
> <LM_ID>
LMPK12050140

> <COMMON_NAME>
3'-Hydroxy-8-O-methylretusin

> <SYSTEMATIC_NAME>
7,3'-Dihydroxy-8,4'-dimethoxyisoflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YYWSNCLFZSMGCM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3

> <SMILES>
C1(O)=C(OC)C2OC=C(C3C=CC(OC)=C(O)C=3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037918

> <CHEBI_ID>
175021

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257262

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53932

> <CITATION>
-

$$$$