LMPK12050264
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    8.7071   10.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7071    9.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5459    8.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3848    9.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3848   10.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5459   10.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2236    8.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625    9.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0625   10.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2236   10.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9013    8.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9013    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7981    7.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6951    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6951    8.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7981    9.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2236    7.6141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5459    7.6141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8685   10.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8682    8.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0294   10.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0294    9.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450   10.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7981    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5339    7.0628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8400    7.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20  2  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050264

> <COMMON_NAME>
3'-Hydroxyalpinumisoflavone 4'-methyl ether

> <SYSTEMATIC_NAME>
5,3'-Dihydroxy-4'-methoxy-6",6"-dimethylpyrano[2",3":7,6]isoflavone

> <FORMULA>
C21H18O6

> <MASS>
366.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XEOFUBPZBRENSE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O6/c1-21(2)7-6-12-16(27-21)9-17-18(19(12)23)20(24)13(10-26-17)11-4-5-15(25-3)14(22)8-11/h4-10,22-23H,1-3H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3C=CC(OC)=C(O)C=3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257309

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$