LMPK12050341
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5556    9.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556    8.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    7.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2016    8.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2016    9.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    9.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0243    7.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8474    8.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8474    9.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0243    9.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6704    7.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6704    6.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5503    6.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4300    6.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4300    7.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5503    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0243    6.9707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2531    6.4298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5344    7.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    6.9707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4355    6.3606    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  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
 14 19  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050341

> <COMMON_NAME>
5-O-Methylbiochanin A

> <SYSTEMATIC_NAME>
7-Hydroxy-5,4'-dimethoxyisoflavone

> <FORMULA>
C17H14O5

> <MASS>
298.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JQQULYXWXRNRAX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O5/c1-20-12-5-3-10(4-6-12)13-9-22-15-8-11(18)7-14(21-2)16(15)17(13)19/h3-9,18H,1-2H3

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14308334

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 238419

> <CITATION>
-

$$$$