LMPK12120119
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.2699    7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2699    6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9812    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6924    6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6924    7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9812    7.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6627    6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3740    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9517    6.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2345    6.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9517    5.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2345    7.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    7.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8213    7.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8213    6.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    6.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9812    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4035    7.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    6.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4099    6.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7050    6.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7050    5.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    7.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5279    5.2715    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120119

> <COMMON_NAME>
Morachalcone A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O5

> <MASS>
340.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NXBYIJSAISXPKJ-WEVVVXLNSA-N

> <INCHI>
InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+

> <SMILES>
C1=CC(O)=CC(O)=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/C)C(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0040306

> <CHEBI_ID>
174576

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9862769

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$