LMPK12112702
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   12.7665    8.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7665    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5924    7.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4182    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4182    8.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5924    9.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2442    7.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0700    7.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0700    8.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2442    9.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2442    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8956    9.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7373    8.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5791    9.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5791    9.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7373   10.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8956    9.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    9.0113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5924    6.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2981   10.6022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7373   11.4409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9173    7.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5979    7.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2006    8.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742    9.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4908   11.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0847   10.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2916   12.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0790    9.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2089    9.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3443    9.5304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3527   10.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2228   11.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2312   12.0214    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 15  1  0  0  0  0
 16 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 18  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>
LMPK12112702

> <COMMON_NAME>
Quercetin 3-methyl ether 7-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O12

> <MASS>
478.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LKXBGSZMRNJAST-UKWZQOBBSA-N

> <INCHI>
InChI=1S/C22H22O12/c1-31-21-17(28)15-12(26)5-9(32-22-19(30)18(29)16(27)14(7-23)34-22)6-13(15)33-20(21)8-2-3-10(24)11(25)4-8/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
67937

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15595751

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$