LMPK12050110
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    7.5723    9.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5723    8.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2514    8.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2514    9.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118    9.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0911    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9306    8.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9306    9.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0911    9.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7702    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7702    6.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6678    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5655    6.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5655    7.6154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6678    8.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0911    6.6460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5513    6.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1606    7.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5513    7.9358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   10.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5723   11.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5723   11.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4118   12.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.6154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  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  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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  2 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050110

> <COMMON_NAME>
Predurmillone

> <SYSTEMATIC_NAME>
7-Hydroxy-6-methoxy-3',4'-methylenedioxy-8-prenylisoflavone

> <FORMULA>
C22H20O6

> <MASS>
380.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KICUOVOMFAGNLF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O6/c1-12(2)4-6-14-21(24)19(25-3)9-15-20(23)16(10-26-22(14)15)13-5-7-17-18(8-13)28-11-27-17/h4-5,7-10,24H,6,11H2,1-3H3

> <SMILES>
C1(O)C(OC)=CC2C(=O)C(C3=CC4OCOC=4C=C3)=COC=2C=1C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14730815

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1096003

> <CITATION>
-

$$$$