LMPK12120271
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.2737    7.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2737    6.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9932    6.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7127    6.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7127    7.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9932    7.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4322    6.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1517    6.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8710    6.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5902    6.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3158    6.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    6.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    7.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3158    7.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5902    7.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4322    5.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9932    5.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7669    7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7669    6.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4319    7.7393    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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120271

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,4,2',4',6'-Pentahydroxychalcone

> <FORMULA>
C15H12O6

> <MASS>
288.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CRBYNQCDRNZCNX-DUXPYHPUSA-N

> <INCHI>
InChI=1S/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H/b4-2+

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

> <KEGG_ID>
C15525

> <HMDB_ID>
HMDB0126020

> <CHEBI_ID>
48967

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5461154

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$