LMPK12050091
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    7.0981   10.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    9.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018    8.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053    9.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053   10.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018   10.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    8.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3126    9.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3126   10.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089   10.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1163    8.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1163    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9755    7.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8347    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8347    8.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9755    9.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5089    7.7806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6382    7.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8894    7.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3126    7.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3126    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6382    9.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6704    8.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   12.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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
 14 18  1  0  0  0  0
 12 20  1  0  0  0  0
 15 22  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050091

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,2',4',5'-Tetramethoxyisoflavone

> <FORMULA>
C19H18O6

> <MASS>
342.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LMCHYXAZXISBOS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O6/c1-21-11-5-6-12-16(7-11)25-10-14(19(12)20)13-8-17(23-3)18(24-4)9-15(13)22-2/h5-10H,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
165203

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 48131

> <CITATION>
-

$$$$