LMPK12120281
  LIPID_MAPS_STRUCTURE_DATABASE

 33 34  0  0  0  0  0  0  0  0999 V2000
   14.6107    9.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6107    8.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4663    7.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3219    8.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3219    9.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4663    9.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8681    8.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7236    7.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0128    7.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500    8.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0128    6.7228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500    9.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3002    9.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4504    9.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4504    8.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3002    7.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3002    6.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6006    9.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1770    9.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6006    7.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7527    8.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7527    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9068    7.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9068    6.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9068    9.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9068   10.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   11.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7509   11.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0000    9.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0988    9.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4663    6.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5649    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  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
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
  5 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22 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
  3 32  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120281

> <COMMON_NAME>
Kushenol D

> <SYSTEMATIC_NAME>
4,2',4'-Trihydroxy-3'-lavandulyl-2,6'-dimethoxychalcone

> <FORMULA>
C27H32O6

> <MASS>
452.22

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LZSUTCMOKIJOBI-ZRDIBKRKSA-N

> <INCHI>
InChI=1S/C27H32O6/c1-16(2)7-8-19(17(3)4)13-21-23(30)15-25(33-6)26(27(21)31)22(29)12-10-18-9-11-20(28)14-24(18)32-5/h7,9-12,14-15,19,28,30-31H,3,8,13H2,1-2,4-6H3/b12-10+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187741

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318893

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49840

> <CITATION>
-

$$$$