LMPK12050080
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.2396    9.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2396    8.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9251    8.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6105    8.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6105    9.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9251    9.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960    8.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9814    8.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9814    9.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960    9.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    8.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    7.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    7.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1324    7.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1324    8.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    8.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960    7.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    9.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    6.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1324    5.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8653    6.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8653    7.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8653    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7547    6.4306    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 16 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050080

> <COMMON_NAME>
Puerarone

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

> <FORMULA>
C20H16O5

> <MASS>
336.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FVHSNXLHIGTMBF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O5/c1-20(2)6-5-11-7-14(16(22)9-17(11)25-20)15-10-24-18-8-12(21)3-4-13(18)19(15)23/h3-10,21-22H,1-2H3

> <SMILES>
C1(O)C=CC2C(=O)C(C3=C(O)C=C4OC(C)(C)C=CC4=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196361

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11244593

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$