LMPK12120501
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.6353    7.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6353    6.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3508    6.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0662    6.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0662    7.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3508    7.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3508    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7811    6.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4943    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2074    6.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9205    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6336    6.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3467    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3467    7.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6336    7.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9205    7.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7811    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7811    7.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9894    7.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840    7.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8255    6.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840    6.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9894    5.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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
  8 17  2  0  0  0  0
  5 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 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
 23  2  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120501

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone

> <FORMULA>
C20H20O4

> <MASS>
324.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IDWBWCUFKGRGML-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O4/c1-13-7-9-15-18(24-12-13)11-17(22)19(20(15)23)16(21)10-8-14-5-3-2-4-6-14/h2-7,11,22-23H,8-10,12H2,1H3

> <SMILES>
C12OCC(C)=CCC=1C(O)=C(C(=O)CCC1C=CC=CC=1)C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197113

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607683

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$