LMPK12050239
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    8.5997   10.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    9.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4463    9.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2928    9.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2928   10.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4463   11.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1395    9.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9860    9.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9860   10.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1395   11.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8323    9.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8323    8.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7374    7.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6426    8.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6426    9.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7374    9.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1395    8.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4463    8.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534   11.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7532    9.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7532    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9069    7.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9069    6.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9547    6.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9941    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4193    7.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20  2  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 14  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050239

> <COMMON_NAME>
Derrubone

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone

> <FORMULA>
C21H18O6

> <MASS>
366.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FTBGFGQPUMCUSC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H18O6/c1-11(2)3-5-13-15(22)8-18-19(20(13)23)21(24)14(9-25-18)12-4-6-16-17(7-12)27-10-26-16/h3-4,6-9,22-23H,5,10H2,1-2H3

> <SMILES>
C1(O)=CC2OC=C(C3C=CC4OCOC=4C=3)C(=O)C=2C(O)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
107656

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5810067

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100139

> <CITATION>
-

$$$$