LMPK12120423
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.4992    7.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4992    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2071    6.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9151    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9151    7.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2071    8.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6228    6.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3303    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0380    6.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7457    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0839    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7915    6.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    6.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6686    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    5.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6686    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    8.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620    7.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    6.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6226    8.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0380    5.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2071    5.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1164    5.2472    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
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  2 12  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 18 21  1  0  0  0  0
  5 22  1  0  0  0  0
  9 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120423

> <COMMON_NAME>
Licochalcone C

> <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>
WBDNTJSRHDSPSR-KPKJPENVSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-14(2)4-11-18-20(24)13-8-16(21(18)25-3)7-12-19(23)15-5-9-17(22)10-6-15/h4-10,12-13,22,24H,11H2,1-3H3/b12-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9840805

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$