LMPK12120181
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0     0  0            999 V2000
    7.6045    8.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6045    7.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766    7.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3487    7.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3487    8.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2208    7.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0929    7.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9648    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8366    7.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7161    7.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5956    7.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5956    8.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7161    9.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8366    8.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2208    6.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750    9.3939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4750    7.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3674    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
  2 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120181

> <COMMON_NAME>
Okanin

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H12O6

> <MASS>
288.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GSBNFGRTUCCBTK-DAFODLJHSA-N

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

> <SMILES>
C1(O)=CC=C(C(=O)/C=C/C2C=CC(O)=C(O)C=2)C(O)=C1O

> <KEGG_ID>
C08724

> <HMDB_ID>
-

> <CHEBI_ID>
7734

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281294

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41554

> <CITATION>
-

$$$$