LMPK12050249
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0     0  0            999 V2000
    7.8855    9.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8855    8.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7327    7.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5798    8.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5798    9.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7327    9.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4270    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2743    8.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2743    9.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4270    9.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1214    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1214    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0271    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9329    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9329    7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0271    8.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4270    6.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0388    9.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7327    6.6511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7327   10.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8859   11.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0388   10.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5495   11.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9277    6.2603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5425    7.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9277    7.9526    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
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 15  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050249

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone

> <FORMULA>
C21H16O6

> <MASS>
364.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XLRBYZGRJYOZSC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H16O6/c1-21(2)6-5-12-16(27-21)8-14(22)18-19(23)13(9-24-20(12)18)11-3-4-15-17(7-11)26-10-25-15/h3-9,22H,10H2,1-2H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC=C(C3=CC4OCOC=4C=C3)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14502737

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53864

> <CITATION>
-

$$$$