LMPK12050291
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.0843   10.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0843    9.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7804    9.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    9.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764   10.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7804   10.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1724    9.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8685    9.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8685   10.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1724   10.7167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5643    9.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5643    8.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085    7.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0527    8.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0527    9.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085    9.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1724    8.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7804    8.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7961    7.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3886    9.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3085    6.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3886   10.7164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3886    8.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6943    7.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6943    7.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519    6.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519    5.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3100    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7939    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8208    7.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
  2 20  1  0  0  0  0
 13 21  1  0  0  0  0
  1 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 21 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
 12 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050291

> <COMMON_NAME>
Angustone A

> <SYSTEMATIC_NAME>
5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KKFAKKIIFUFASS-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(O)=C(C/C=C(/C)\C)C=3O)C(=O)C=2C(O)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15664151

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$