LMPK12050322
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.6019   10.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    9.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4490    8.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2960    9.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2960   10.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4490   10.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1430    8.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9903    9.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9903   10.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1433   10.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8373    8.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8373    7.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7430    7.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6487    7.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6487    8.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7430    9.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1430    7.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7547    8.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7547   10.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4490    7.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5535    7.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7547    7.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9076    7.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9076    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4600    7.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4600    8.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5543    9.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9491    6.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4382    7.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7430   10.3070    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
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 15  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050322

> <COMMON_NAME>
Angustone B

> <SYSTEMATIC_NAME>
5,7,2'-Trihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone

> <FORMULA>
C25H24O6

> <MASS>
420.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QQUXNFZAFOMGTQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O6/c1-13(2)5-6-15-18(26)11-20-21(23(15)28)24(29)17(12-30-20)14-7-8-19-16(22(14)27)9-10-25(3,4)31-19/h5,7-12,26-28H,6H2,1-4H3

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=C(O)C4C=CC(C)(C)OC=4C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178569

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481235

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3871

> <CITATION>
-

$$$$