LMPK12120096
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0     0  0            999 V2000
    7.6054    8.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6054    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3517    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3517    8.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    9.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2248    7.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0978    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9706    7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8434    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7239    7.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6043    7.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6043    8.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7239    9.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8434    8.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2248    6.5815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4846    9.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.3605    0.0000 O   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
 13 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120096

> <COMMON_NAME>
Isoliquiritigenin

> <SYSTEMATIC_NAME>
(E)-2',4,4'-Trihydroxychalcone

> <FORMULA>
C15H12O4

> <MASS>
256.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Trihydroxychalcone

> <INCHI_KEY>
DXDRHHKMWQZJHT-FPYGCLRLSA-N

> <INCHI>
InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+

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

> <KEGG_ID>
C08650

> <HMDB_ID>
HMDB0037316

> <CHEBI_ID>
310312

> <ABBREVIATION>
-

> <CAYMAN_ID>
10739

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
638278

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 35938

> <CITATION>
14038809

$$$$