LMPK12120091
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.4954    8.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4954    7.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3630    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2305    7.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2305    8.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3630    9.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    9.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0980    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9655    7.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8332    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8332    6.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7006    7.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5681    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4357    7.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4357    8.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5681    9.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7006    8.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5681    6.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3032    7.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1707    7.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1707    8.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3032    9.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5134    9.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1573    8.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5753    7.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218    7.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8282    7.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8282    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.4922    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
  1  7  1  0  0  0  0
  4  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
 10 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120091

> <COMMON_NAME>
Paratocarpin B

> <SYSTEMATIC_NAME>
3-Prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']-4,2'-dihydroxychalcone

> <FORMULA>
C25H26O4

> <MASS>
390.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WRNYEZGVIHDIGH-YRNVUSSQSA-N

> <INCHI>
InChI=1S/C25H26O4/c1-16(2)5-8-18-15-17(6-10-21(18)26)7-11-22(27)19-9-12-23-20(24(19)28)13-14-25(3,4)29-23/h5-7,9-15,26,28H,8H2,1-4H3/b11-7+

> <SMILES>
C1(O)C=CC(/C=C/C(C2C=CC3OC(C)(C)C=CC=3C=2O)=O)=CC=1C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187700

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607541

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 241902

> <CITATION>
-

$$$$