LMPK12120580
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.5287    8.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5287    7.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279    7.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3270    7.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3270    8.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4279    9.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2834    7.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620    7.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2834    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620    8.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    9.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9623    8.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8614    9.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8614   10.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9623   10.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   10.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1778    9.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9623   11.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5927   10.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    7.2688    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
  5 17  1  0  0  0  0
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
  8 21  1  1  0  0  0
M  END
> <LM_ID>
LMPK12120580

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,4,2',4',alpha-Pentahydroxydihydrochalcone

> <FORMULA>
C15H14O6

> <MASS>
290.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CYRHKFJOQQQLAM-CQSZACIVSA-N

> <INCHI>
InChI=1S/C15H14O6/c16-9-2-3-10(12(18)7-9)15(21)14(20)6-8-1-4-11(17)13(19)5-8/h1-5,7,14,16-20H,6H2/t14-/m1/s1

> <SMILES>
C1(O)C=C(O)C(C(=O)[C@H](O)CC2C=C(O)C(O)=CC=2)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196289

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10732214

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 457900

> <CITATION>
-

$$$$