LMPK12120606
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.8621    8.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8621    7.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7490    6.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6357    7.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6357    8.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7490    8.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5791    6.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4459    7.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5791    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4459    8.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3346    8.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2216    8.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1083    8.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1083    9.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2216   10.4688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3346    9.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8933   10.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5509   10.4093    0.0000 O   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  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120606

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2,4,4'-Trihydroxydihydrochalcone

> <FORMULA>
C15H14O4

> <MASS>
258.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IVBQZFJZIGYXMK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H14O4/c16-12-5-1-10(2-6-12)14(18)8-4-11-3-7-13(17)9-15(11)19/h1-3,5-7,9,16-17,19H,4,8H2

> <SMILES>
C1(O)C=CC(C(=O)CCC2C(O)=CC(O)=CC=2)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10801179

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100532

> <CITATION>
11000044

$$$$