LMPK12120204
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.2689    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2701    6.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2701    8.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    8.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    8.1351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    5.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 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 11  1  0  0  0  0
  5 17  1  0  0  0  0
  1 18  1  0  0  0  0
 16 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120204

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2,2',4'-Trihydroxy-6'-methoxychalcone

> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UTZASYFUQKMLRQ-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-21-15-9-11(17)8-14(20)16(15)13(19)7-6-10-4-2-3-5-12(10)18/h2-9,17-18,20H,1H3/b7-6+

> <SMILES>
C1(O)C=C(O)C(C(/C=C/C2C(O)=CC=CC=2)=O)=C(OC)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178322

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5374122

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$