LMPK12112829
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.1688   11.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1688   10.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0490   10.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   10.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   11.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0490   12.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8093   10.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6894   10.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6894   11.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8093   12.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8304    9.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5696   12.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4666   11.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3636   12.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3636   13.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4666   13.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5696   13.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2888   12.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2436   13.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0702    9.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2888   10.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5696   10.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4052   10.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9262    8.0678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0348    7.3946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5112    8.6948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5785   10.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040   10.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3457    9.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1645    8.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2160    8.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4543    9.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6356   10.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8738   10.6691    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
 19 15  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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  0     0  0
 33 34  1  1     0  0
 29 21  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12112829

> <COMMON_NAME>
6-Hydroxykaempferol 3-methyl ether 6-glucoside

> <SYSTEMATIC_NAME>
5,6,7,4'-Tetrahydroxy-3-methoxyflavone 6-glucoside

> <FORMULA>
C22H22O12

> <MASS>
478.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RCCHIJJQDUZNBN-OOVDEOTFSA-N

> <INCHI>
InChI=1S/C22H22O12/c1-31-21-16(28)13-11(32-19(21)8-2-4-9(24)5-3-8)6-10(25)20(15(13)27)34-22-18(30)17(29)14(26)12(7-23)33-22/h2-6,12,14,17-18,22-27,29-30H,7H2,1H3/t12-,14-,17+,18-,22+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163038590

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 183055

> <CITATION>
-

$$$$