LMPK12050071
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.5692    9.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5692    8.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4061    7.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2429    8.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2429    9.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4061    9.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0798    7.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9166    8.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9166    9.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0798    9.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7531    7.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7531    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6479    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5427    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5427    7.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6479    8.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0798    6.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4372    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8593    6.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6479    9.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5399    9.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5399   10.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4302   11.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6497   11.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4365    8.1264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3268    7.6125    0.0000 C   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
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050071

> <COMMON_NAME>
Kwakhurin

> <SYSTEMATIC_NAME>
7,4',6'-Trihydroxy-3'-methoxy-2'-prenylisoflavone

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CFMMELZRMVWLJB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-11(2)4-6-14-19(16(23)9-17(24)21(14)26-3)15-10-27-18-8-12(22)5-7-13(18)20(15)25/h4-5,7-10,22-24H,6H2,1-3H3

> <SMILES>
C1(O)C=CC2C(=O)C(C3=C(C/C=C(\C)/C)C(OC)=C(O)C=C3O)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193153

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11303135

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3892

> <CITATION>
-

$$$$