LMPK12111453
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    7.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    7.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    8.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    8.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    8.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    8.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    8.9601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3100    0.0000 C   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 22  1  0  0  0  0
 20 21  1  0  0  0  0
 14 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111453

> <COMMON_NAME>
Isothymusin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IODGQWWTJYDCLN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-16-13(20)12-10(19)7-11(8-3-5-9(18)6-4-8)24-15(12)14(21)17(16)23-2/h3-7,18,20-21H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
630253

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$