LMPK12120008
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.8155    9.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8155    8.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6886    7.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5617    8.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5617    9.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6886    9.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4348    7.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079    8.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1807    7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0534    8.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9339    7.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8143    8.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8143    9.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9339    9.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0534    9.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4348    6.9298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    9.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6886    6.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9428    6.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    8.5989    0.0000 C   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 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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 19 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120008

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2',4'-Dihydroxy-3'-(1,1-dimethyl-2-propenyl)chalcone

> <FORMULA>
C20H20O3

> <MASS>
308.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ATYPSCXFVMUEII-ZRDIBKRKSA-N

> <INCHI>
InChI=1S/C20H20O3/c1-4-20(2,3)18-17(22)13-11-15(19(18)23)16(21)12-10-14-8-6-5-7-9-14/h4-13,22-23H,1H2,2-3H3/b12-10+

> <SMILES>
C1(O)=CC=C(C(=O)/C=C/C2C=CC=CC=2)C(O)=C1C(C)(C=C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196252

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607517

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3089699

> <CITATION>
17396921

$$$$