LMPK12120570
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.6124    8.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6124    7.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4857    7.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590    7.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590    8.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4857    9.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2319    7.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1029    7.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9719    7.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8393    7.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6880    7.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    7.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    8.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6880    9.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8393    8.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2319    6.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4857    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    8.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6533    7.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1029    8.5753    0.0000 O   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
  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 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  2  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120570

> <COMMON_NAME>
Castillene E

> <SYSTEMATIC_NAME>
2-Hydroxy-1-(4-hydroxybenzofuran-5-yl)-3-phenyl-1-propanone

> <FORMULA>
C17H14O4

> <MASS>
282.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VRFVOPNFIDHBED-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O4/c18-14(10-11-4-2-1-3-5-11)17(20)13-6-7-15-12(16(13)19)8-9-21-15/h1-9,14,18-19H,10H2

> <SMILES>
C12OC=CC=1C(O)=C(C(=O)C(O)CC1C=CC=CC=1)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187469

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
180425

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1959022

> <CITATION>
-

$$$$