LMPK12120340
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.8669    7.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    6.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    6.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144    6.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144    7.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    7.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8882    6.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5621    6.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2359    6.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9097    6.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5891    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2686    6.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2686    7.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5891    7.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9097    7.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8882    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8882    7.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4060    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    8.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5895    9.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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
  5 17  1  0  0  0  0
  6 22  1  0  0  0  0
  1 18  1  0  0  0  0
  3 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120340

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2'-Hydroxy-3',4',6'-trimethoxychalcone

> <FORMULA>
C18H18O5

> <MASS>
314.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OCGIXADHTXAPKN-MDZDMXLPSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5354780

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$