LMPK12120092
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.0455    8.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9114    6.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    8.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9114    8.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435    6.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5096    7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5096    8.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435    8.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3755    8.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2416    8.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1076    8.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9736    8.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9736    7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8396    6.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7057    7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7057    8.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8396    8.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5716    6.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4376    7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4376    8.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5716    8.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    7.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7797    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435    9.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3755    9.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  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 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 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  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
 21 25  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  2  0  0  0  0
M  END
> <LM_ID>
LMPK12120092

> <COMMON_NAME>
Paratocarpin A

> <SYSTEMATIC_NAME>
Bis(6'',6''-dimethylpyrano)[2'',3'':4',3'][2'',3'':4,3]-2'-hydroxychalcone

> <FORMULA>
C25H24O4

> <MASS>
388.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QGPHHWRNFMTVGA-VMPITWQZSA-N

> <INCHI>
InChI=1S/C25H24O4/c1-24(2)13-11-17-15-16(6-9-21(17)28-24)5-8-20(26)18-7-10-22-19(23(18)27)12-14-25(3,4)29-22/h5-15,27H,1-4H3/b8-5+

> <SMILES>
C1=CC2C(O)=C(C(=O)/C=C/C3C=C4C=CC(C)(C)OC4=CC=3)C=CC=2OC1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607542

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 241902

> <CITATION>
-

$$$$