LMPK12050498
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.7598    9.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7598    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6154    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4712    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4712    9.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6154    9.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3267    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1823    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1823    9.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3267    9.6209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0379    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0379    6.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9525    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8673    6.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8673    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9525    8.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3267    6.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7230    6.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045    9.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6154   10.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7598   11.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7598   12.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6154   12.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9043   12.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9525    9.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6154    6.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486    9.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9043    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5547    9.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1269    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  1  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
 18 14  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
  3 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29  2  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050498

> <COMMON_NAME>
2,3-Dihydroauriculatin

> <SYSTEMATIC_NAME>
5,2',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavanone

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QIUJXSRLJRBVHI-UHFFFAOYSA-N

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

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3=C(O)C=C(O)C=C3)COC=1C=2C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163749

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 157649

> <CITATION>
-

$$$$