LMPK12050090
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.1043   10.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1043    9.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9139    9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7233    9.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7233   10.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9139   10.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5329    9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3425    9.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3425   10.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5329   10.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1520    9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1520    8.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0176    7.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8831    8.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8831    9.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0176    9.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5329    8.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3425    7.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   12.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6926    7.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9531    8.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0176    6.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0575    6.0606    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
 23 24  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
 12 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 21  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050090

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2'-Hydroxy-7,3',4'-trimethoxyisoflavone

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KVFOZJPYRDSYGP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-21-10-4-5-12-15(8-10)24-9-13(16(12)19)11-6-7-14(22-2)18(23-3)17(11)20/h4-9,20H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257240

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1231556

> <CITATION>
-

$$$$