LMPK12120097
  LIPID_MAPS_STRUCTURE_DATABASE

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.6051    8.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    7.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    7.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3506    7.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3506    8.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    9.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2234    7.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0961    7.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9686    7.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8410    7.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7211    7.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6013    7.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6013    8.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7211    9.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8410    8.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2234    6.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4811    9.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3538    8.8921    0.0000 C   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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120097

> <COMMON_NAME>
Isoliquiritigenin 4-methyl ether

> <SYSTEMATIC_NAME>
2',4'-Dihydroxy-4-methoxychalcone

> <FORMULA>
C16H14O4

> <MASS>
270.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ADRQFDIWPRFKSP-RUDMXATFSA-N

> <INCHI>
InChI=1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5711223

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3805

> <CITATION>
-

$$$$