LMPK12120048
  LIPID_MAPS_STRUCTURE_DATABASE

 29 30  0  0  0  0  0  0  0  0999 V2000
   12.2781    7.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2781    6.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9901    6.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7022    6.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7022    7.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9901    7.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6690    6.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3811    6.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9572    6.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2392    6.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9572    5.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2392    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    7.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8244    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8244    6.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    6.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4143    7.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    5.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1172    7.7198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4141    6.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1243    6.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8331    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5419    6.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8331    5.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1172    6.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4114    6.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7057    6.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7057    5.2714    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 14 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 15 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>
LMPK12120048

> <COMMON_NAME>
Kanzonol C

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CBGDCCSHOGQUSW-MDWZMJQESA-N

> <INCHI>
InChI=1S/C25H28O4/c1-16(2)5-9-19-15-18(7-12-22(19)26)8-13-23(27)21-11-14-24(28)20(25(21)29)10-6-17(3)4/h5-8,11-15,26,28-29H,9-10H2,1-4H3/b13-8+

> <SMILES>
C1=CC(O)=C(C/C=C(\C)/C)C=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/C)C(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5316802

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$