LMPK12111844
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.0645   -4.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0645   -5.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9455   -6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8264   -5.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8264   -4.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9455   -4.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7073   -6.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5883   -5.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5883   -4.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7073   -4.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7073   -7.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4690   -4.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3668   -4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2646   -4.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2646   -3.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3668   -2.5387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4690   -3.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1840   -4.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9455   -7.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6406   -6.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1623   -2.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4970   -5.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9839   -6.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6453   -8.6435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2481   -7.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6643   -9.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4157   -6.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3276   -6.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0722   -7.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9027   -8.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9909   -8.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8215   -9.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9435   -9.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1231   -9.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2177   -9.5716    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 15 21  1  0  0  0  0
 26 32  2  0     0  0
 31 25  1  0     0  0
 25 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  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 32 33  1  0     0  0
 27 20  1  1     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
M  END
> <LM_ID>
LMPK12111844

> <COMMON_NAME>
Kaempferol 3-(6''-ethylglucuronide)

> <SYSTEMATIC_NAME>
3,5,7,4'-Tetrahydroxyflavone 3-(6"-ethylglucuronide)

> <FORMULA>
C23H22O12

> <MASS>
490.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YRZVQHMIYVCUGI-USFRMQJTSA-N

> <INCHI>
InChI=1S/C23H22O12/c1-2-32-22(31)21-17(29)16(28)18(30)23(35-21)34-20-15(27)14-12(26)7-11(25)8-13(14)33-19(20)9-3-5-10(24)6-4-9/h3-8,16-18,21,23-26,28-30H,2H2,1H3/t16-,17-,18+,21-,23+/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(OCC)=O)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162894018

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 13123

> <CITATION>
-

$$$$