LMPK12120066
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0  0  0  0  0  0  0  0999 V2000
    7.5986   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3308    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3308   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967   12.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7947   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7947    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5269    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5269   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   11.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3928    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7947    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7947    6.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    7.8606    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
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120066

> <COMMON_NAME>
Paratocarpin D

> <SYSTEMATIC_NAME>
3'-Prenyl-3-(2-hydroxy-3-methylbutyl-3-enyl)-4,2',4'-trihydroxychalcone

> <FORMULA>
C25H28O5

> <MASS>
408.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LHXAMRZXSXXVSB-YRNVUSSQSA-N

> <INCHI>
InChI=1S/C25H28O5/c1-15(2)5-8-19-23(28)12-9-20(25(19)30)22(27)11-7-17-6-10-21(26)18(13-17)14-24(29)16(3)4/h5-7,9-13,24,26,28-30H,3,8,14H2,1-2,4H3/b11-7+

> <SMILES>
C1C=C(C(/C=C/C2C=CC(O)=C(CC(C(C)=C)O)C=2)=O)C(O)=C(C/C=C(\C)/C)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607533

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 241902

> <CITATION>
-

$$$$