LMPK12050248
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.5766   11.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5766   10.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4205    9.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2644   10.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2644   11.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4205   11.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1081    9.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9520   10.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9520   11.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1081   11.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7959    9.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7959    8.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6982    8.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6004    8.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6004    9.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6982   10.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1081    8.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6982    7.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6004    6.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5027    7.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5027    8.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9899    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4771    7.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4205    8.8347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4443   10.2964    0.0000 O   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
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 14  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  3 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050248

> <COMMON_NAME>
Semilicoisoflavone B

> <SYSTEMATIC_NAME>
3-(2,2-Dimethyl-8-hydroxy-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C20H16O6

> <MASS>
352.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LWZACZCRAUQSLH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=CC(O)=C4OC(C)(C)C=CC4=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0035184

> <CHEBI_ID>
69093

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481948

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 46347

> <CITATION>
-

$$$$