LMPK12120431
  LIPID_MAPS_STRUCTURE_DATABASE

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.2576    7.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2576    6.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609    6.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6640    6.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6641    7.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609    8.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3674    6.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0706    6.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7739    6.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4771    6.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1863    6.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8955    6.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8955    7.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1863    8.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4771    7.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3674    5.7690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5988    8.2119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1863    5.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0894    5.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  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
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120431

> <COMMON_NAME>
Echinatin

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H14O4

> <MASS>
270.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QJKMIJNRNRLQSS-WEVVVXLNSA-N

> <INCHI>
InChI=1S/C16H14O4/c1-20-16-10-14(18)8-4-12(16)5-9-15(19)11-2-6-13(17)7-3-11/h2-10,17-18H,1H3/b9-5+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6442675

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$