LMPK12120114
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.2644    7.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2644    7.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9746    6.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    7.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    7.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9746    8.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951    6.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1054    7.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8154    6.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    7.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416    6.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9579    7.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9579    7.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416    8.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    7.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951    5.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6740    8.2449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6740    6.5910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9746    5.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8869    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  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
 12 19  1  0  0  0  0
  3 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120114

> <COMMON_NAME>
Sappanchalcone

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVGNTXGHBHMJDO-QHHAFSJGSA-N

> <INCHI>
InChI=1S/C16H14O5/c1-21-16-9-11(17)4-5-12(16)13(18)6-2-10-3-7-14(19)15(20)8-10/h2-9,17,19-20H,1H3/b6-2+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66172

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319493

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$