LMPK12110176
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.0511    6.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0511    7.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366    7.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    7.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    6.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366    5.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4801    6.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4801    7.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    7.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1946    7.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9091    7.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6236    7.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6236    8.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9091    8.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1946    8.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    7.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9076    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366    8.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.2377    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
  1  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  2  1  0  0  0  0
  9 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
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
  6 19  1  0  0  0  0
  5 20  1  0  0  0  0
  3 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
> <LM_ID>
LMPK12110176

> <COMMON_NAME>
Unonal

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H12O5

> <MASS>
296.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IGNBNJUVMNCTNB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O5/c1-9-15(20)11(8-18)16(21)14-12(19)7-13(22-17(9)14)10-5-3-2-4-6-10/h2-8,20-21H,1H3

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3)OC=1C(C)=C(O)C(C=O)=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187471

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25076214

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$