LMPK12112539
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2572    7.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2572    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9599    6.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6627    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6627    7.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9599    8.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3655    6.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0683    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0683    7.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3655    8.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3655    5.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7710    8.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4873    7.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2036    8.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2036    9.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4873    9.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7710    9.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7710    6.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9065    9.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9599    5.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8626    5.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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
  3 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112539

> <COMMON_NAME>
Kaempferol 5-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>
ZWWRUVANJRMPKX-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319694

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$