LMPK12111566
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.2707    7.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2707    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9873    5.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7039    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7039    7.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9873    7.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4205    5.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1371    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1371    7.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4205    7.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4205    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8534    7.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5838    7.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3142    7.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3142    8.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5838    8.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8534    8.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8534    5.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0443    8.8123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5838    9.6555    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  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
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111566

> <COMMON_NAME>
Fisetin

> <SYSTEMATIC_NAME>
3,3',4',7-Tetrahydroxyflavone

> <FORMULA>
C15H10O6

> <MASS>
286.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XHEFDIBZLJXQHF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H

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

> <KEGG_ID>
C10041

> <HMDB_ID>
-

> <CHEBI_ID>
42567

> <ABBREVIATION>
-

> <CAYMAN_ID>
15246

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281614

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$