LMPK12050302
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    8.5894   10.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5894    9.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4339    8.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2784    9.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2784   10.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4339   10.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1229    8.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9674    9.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9674   10.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1229   10.7422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8115    8.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8115    7.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7144    7.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6173    7.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6173    8.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7144    9.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1229    7.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453    8.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453   10.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4339    7.8173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5194    7.2290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453    7.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9029    7.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9029    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5202    9.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7144   10.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876    7.3332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4223    8.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3224    9.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3224   10.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2208    8.7938    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
  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
 16 27  1  0  0  0  0
 22 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050302

> <COMMON_NAME>
Lupinisol B

> <SYSTEMATIC_NAME>
3-[2,4-Dihydroxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-6-(2-hydroxy-3-methyl-3-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C25H26O7

> <MASS>
438.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OFSUVJPCIYIGKX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O7/c1-12(2)5-6-15-18(26)8-7-14(23(15)29)17-11-32-21-10-20(28)16(9-19(27)13(3)4)24(30)22(21)25(17)31/h5,7-8,10-11,19,26-30H,3,6,9H2,1-2,4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187043

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237669

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$