LMPK12111842
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    7.5802   11.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5802   10.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4281   10.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2759   10.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2759   11.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4281   11.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1238   10.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9717   10.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9717   11.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1238   11.9953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1238    9.2738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8193   11.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6836   11.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5478   11.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5478   12.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6836   13.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8193   12.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4281    9.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4117   13.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6302    9.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5157   10.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0399    9.3016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6768    7.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2117    8.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3914    9.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3341    9.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0973    8.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9156    7.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9730    7.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7914    6.6668    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
  8 21  1  0  0  0  0
 30 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  6     0  0
 26 21  1  6     0  0
 27 22  1  6     0  0
 28 23  1  6     0  0
 29 24  1  1     0  0
M  END
> <LM_ID>
LMPK12111842

> <COMMON_NAME>
Afzelin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O10

> <MASS>
432.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Kaempferol-3-O-rhamnoside

> <INCHI_KEY>
SOSLMHZOJATCCP-MKMJNHTISA-N

> <INCHI>
InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21+/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15558501

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$