LMPK12050119
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.0812   10.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0812    9.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8679    9.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546    9.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546   10.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8679   10.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4411    9.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2278    9.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2278   10.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4411   10.9493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0144    9.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0144    8.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8555    7.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6965    8.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6965    9.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8555    9.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4411    8.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8555    6.7676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2278    7.7074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   10.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4832    7.7074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.1327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   11.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    8.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9895    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1989    6.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4832    6.7074    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 20  1  0  0  0  0
 14 21  1  0  0  0  0
  2 22  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  1  0  0  0  0
 20 23  1  0     0  0
 22 24  1  0     0  0
 18 25  1  0     0  0
 19 26  1  0     0  0
 21 27  1  0     0  0
M  END
> <LM_ID>
LMPK12050119

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6,7,2',3',4'-Pentamethoxyisoflavone

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PQBJXCFVHIZLIF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-22-14-7-6-11(19(25-4)20(14)26-5)13-10-27-15-9-17(24-3)16(23-2)8-12(15)18(13)21/h6-10H,1-5H3

> <SMILES>
C1(OC)=CC2OC=C(C3C=CC(OC)=C(OC)C=3OC)C(=O)C=2C=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257251

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 104318

> <CITATION>
-

$$$$