LMPK12120433
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.5460   -5.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5460   -6.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628   -7.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1795   -6.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1795   -5.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628   -5.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9962   -7.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8131   -6.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6298   -7.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4464   -6.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701   -7.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0937   -6.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0937   -5.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701   -5.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4464   -5.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9962   -8.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701   -8.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9105   -7.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6298   -5.4550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9105   -5.4550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9595   -6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6300   -4.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9106   -8.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  4  7  1  0  0  0  0
  7  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
 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
 11 17  1  0  0  0  0
 15 19  1  0  0  0  0
 13 20  1  0  0  0  0
 12 18  1  0  0  0  0
 19 22  1  0     0  0
 18 23  1  0     0  0
M  END
> <LM_ID>
LMPK12120433

> <COMMON_NAME>
Tepanone

> <SYSTEMATIC_NAME>
(E)-1-Phenyl-3-(2-hydroxy-3,4,6-trimethoxyphenyl)-2-propen-1-one

> <FORMULA>
C18H18O5

> <MASS>
314.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MNAQIJCVPFKJAU-MDZDMXLPSA-N

> <INCHI>
InChI=1S/C18H18O5/c1-21-15-11-16(22-2)18(23-3)17(20)13(15)9-10-14(19)12-7-5-4-6-8-12/h4-11,20H,1-3H3/b10-9+

> <SMILES>
C1=CC=C(C(=O)/C=C/C2C(OC)=CC(OC)=C(OC)C=2O)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607663

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 672958

> <CITATION>
-

$$$$