LMPK12050198
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    8.5926   10.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926    9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4382    8.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2838    9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2838   10.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4382   10.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1293    8.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9748    9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9748   10.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1293   10.7478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8200    8.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8200    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7241    7.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6281    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6281    8.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7241    9.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1293    7.8192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7474    8.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7474   10.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4382    7.8192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5313    7.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7474    7.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040    7.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5322    9.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4354    8.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3367    9.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3367   10.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2362    8.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5908    7.3344    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
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 22 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050198

> <COMMON_NAME>
Lupinisol A

> <SYSTEMATIC_NAME>
4',5,7-Trihydroxy-6-(2-hydroxy-3-methyl-3-butenyl)-3'-prenylisoflavone

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ALEUBOFIDHNMTA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-13(2)5-6-16-9-15(7-8-19(16)26)18-12-31-22-11-21(28)17(10-20(27)14(3)4)24(29)23(22)25(18)30/h5,7-9,11-12,20,26-29H,3,6,10H2,1-2,4H3

> <SMILES>
C1(O)C(CC(O)C(=C)C)=C(O)C2C(=O)C(C3=CC(C/C=C(/C)\C)=C(O)C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237668

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$