LMPK12050207
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    7.5758    9.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5758    8.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    8.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2621    8.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2621    9.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189   10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1052    8.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9484    8.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9484    9.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1052   10.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7915    8.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7915    7.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6929    6.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5943    7.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5943    8.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6929    8.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1052    7.2711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4959    6.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4949    8.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3974    7.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3974    8.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8842    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3711    7.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    7.2711    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
 19 14  1  0  0  0  0
 15 20  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
  3 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050207

> <COMMON_NAME>
Isoderrone

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

> <FORMULA>
C20H16O5

> <MASS>
336.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WTNXJYOYGPGIJK-UHFFFAOYSA-N

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

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=CC4C=CC(C)(C)OC=4C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69748

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237660

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$