LMPK12120424
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.4484    7.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4484    6.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1490    5.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8497    6.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8497    7.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1490    7.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5501    5.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2506    6.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2506    7.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0476    6.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7480    5.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3472    5.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6468    6.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3472    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6468    7.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9508    7.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548    7.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2548    6.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9508    5.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5501    7.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5501    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5501    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7480    7.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7480    8.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  2 11  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120424

> <COMMON_NAME>
Licochalcone A

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O4

> <MASS>
338.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KAZSKMJFUPEHHW-DHZHZOJOSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
174541

> <ABBREVIATION>
-

> <CAYMAN_ID>
11853

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318998

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$