LMPK12112673
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
   16.2766   10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2766    9.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1660    8.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0554    9.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0554   10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1660   10.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3870    8.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4976    9.2230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6080    8.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6080    7.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4976    7.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3870    7.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7184    9.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8291    8.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8291    7.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7184    7.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4976    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9396    9.2230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2307    7.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8035   10.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7184    6.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1036    7.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7532    7.2541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9547    6.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3477    7.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2340    9.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7233    8.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0429    8.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9498    7.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0477    7.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2443    7.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375    8.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5341    9.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5390   10.5332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  0     0  0
 32 33  1  1     0  0
 28 18  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
 33 34  2  0     0  0
M  END
> <LM_ID>
LMPK12112673

> <COMMON_NAME>
Kaempferol 3-methyl ether 7-glucuronide

> <SYSTEMATIC_NAME>
5-Hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid

> <FORMULA>
C22H20O12

> <MASS>
476.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Bracteoside

> <INCHI_KEY>
DKWQRYDJKSHULB-NTKSAMNMSA-N

> <INCHI>
InChI=1S/C22H20O12/c1-31-19-14(25)13-11(24)6-10(7-12(13)33-18(19)8-2-4-9(23)5-3-8)32-22-17(28)15(26)16(27)20(34-22)21(29)30/h2-7,15-17,20,22-24,26-28H,1H3,(H,29,30)/t15-,16-,17+,20-,22+/m0/s1

> <SMILES>
C1C=C(O)C=CC=1C1=C(OC)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12085822

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1033235

> <CITATION>
11394857

$$$$