LMPK12140095
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.7143    6.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7143    6.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288    5.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    6.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    6.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288    7.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    5.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.9361    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8578    7.3485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    7.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0148    6.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7431    7.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7431    8.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0148    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2866    8.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4711    8.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0148    9.4505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288    8.1734    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140095

> <COMMON_NAME>
Isookanin

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H12O6

> <MASS>
288.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZPVNWCMRCGXRJD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H12O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-5,13,16-17,19-20H,6H2

> <SMILES>
C1(O)=C(O)C2OC(C3C=C(O)C(O)=CC=3)CC(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12309904

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$