LMPK12050200
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    8.6239    7.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5562    8.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5562    9.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6239    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    9.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    8.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4885    7.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4206    8.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4206    9.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4885    9.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    7.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    6.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3463    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2760    6.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2760    7.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3463    8.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6239   10.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8190   11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8190   12.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0609   12.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4165   12.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4885    6.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6239    6.8992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9087    9.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0041    6.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2252    8.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2252    9.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1696    9.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1696   10.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9193    9.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  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  3  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
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 22  2  0  0  0  0
  1 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050200

> <COMMON_NAME>
7-O-Methylisolupalbigenin

> <SYSTEMATIC_NAME>
7-Methyl-5,4'-hydroxy-8,3'-diprenylisoflavone

> <FORMULA>
C26H28O5

> <MASS>
420.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XOEJOZMFBLQRCB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H28O5/c1-15(2)6-8-18-12-17(9-11-21(18)27)20-14-31-26-19(10-7-16(3)4)23(30-5)13-22(28)24(26)25(20)29/h6-7,9,11-14,27-28H,8,10H2,1-5H3

> <SMILES>
C1(O)C=C(OC)C(C/C=C(\C)/C)=C2OC=C(C3C=C(C/C=C(\C)/C)C(O)=CC=3)C(=O)C=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187064

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10960780

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1311270

> <CITATION>
-

$$$$