LMPK12120076
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.9154    8.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9154    7.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7684    7.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6215    7.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6215    8.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7684    9.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9879    7.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8409    7.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1352    7.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2751    7.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1352    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2751    8.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4275    9.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5802    8.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5802    7.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4275    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4745    7.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3276    7.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3276    8.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4745    9.0129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1541    9.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3255    8.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4275    6.0872    0.0000 O   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
 14 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  5  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120076

> <COMMON_NAME>
Kanzonol B

> <SYSTEMATIC_NAME>
(E)-1-(2,4-Dihydroxyphenyl)-3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-2-propen-1-one

> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TUHJQMZJOMZXJO-XVNBXDOJSA-N

> <INCHI>
InChI=1S/C20H18O4/c1-20(2)10-9-14-11-13(4-8-19(14)24-20)3-7-17(22)16-6-5-15(21)12-18(16)23/h3-12,21,23H,1-2H3/b7-3+

> <SMILES>
C1=CC2OC(C)(C)C=CC=2C=C1/C=C/C(=O)C1C(O)=CC(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184832

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10881804

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 372983

> <CITATION>
-

$$$$