LMPK12050301
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    8.5845   10.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5845    9.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4273    8.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2702    9.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2702   10.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4273   10.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1130    8.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9557    9.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9557   10.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1130   10.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7983    8.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7983    7.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6994    7.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6006    7.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6006    8.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6994    9.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1130    7.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419    8.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419   10.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4273    7.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5008    7.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419    7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9013    7.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9013    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5017    9.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4019    8.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4019    7.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004    9.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004   10.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1970    8.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6994   10.3473    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  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
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 16 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050301

> <COMMON_NAME>
Lupinisol C

> <SYSTEMATIC_NAME>
3-[2,4-Dihydroxy-3-(2-hydroxy-3-methyl-3-butenyl)phenyl]-5,7-dihydroxy-6-(3-methyl-2-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>
YGIMNZIIYOGVNP-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14237670

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3870

> <CITATION>
-

$$$$