LMPK12120111
  LIPID_MAPS_STRUCTURE_DATABASE

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.6047    8.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6047    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4771    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3495    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3495    8.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4771    9.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2219    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0943    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9664    7.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8385    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7182    7.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5981    7.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5981    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7182    9.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8385    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2219    6.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4777    9.3947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4771    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4777    7.3634    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
  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
 13 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120111

> <COMMON_NAME>
Butein

> <SYSTEMATIC_NAME>
(E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one

> <FORMULA>
C15H12O5

> <MASS>
272.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2',3,4,4'-tetrahydroxy Chalcone

> <INCHI_KEY>
AYMYWHCQALZEGT-ORCRQEGFSA-N

> <INCHI>
InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+

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

> <KEGG_ID>
C08578

> <HMDB_ID>
-

> <CHEBI_ID>
3237

> <ABBREVIATION>
-

> <CAYMAN_ID>
15371

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281222

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 56060

> <CITATION>
16748995

$$$$