LMPK12111569
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2707    7.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2707    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9872    5.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7037    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7037    7.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9872    7.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4202    5.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367    7.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4202    7.5473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4202    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8530    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5833    7.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3134    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3134    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5833    8.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8530    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8530    5.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5833    9.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0435    8.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7600    8.3982    0.0000 C   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  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111569

> <COMMON_NAME>
Fisetin 4'-methyl ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QVYSSMFEUBQBEU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-12-5-2-8(6-11(12)18)16-15(20)14(19)10-4-3-9(17)7-13(10)22-16/h2-7,17-18,20H,1H3

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(OC)=CC=3)=C(O)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029492

> <CHEBI_ID>
174848

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5378244

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$