LMPK12112702
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
   13.3529    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3529    7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167    7.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0804    7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0804    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167    9.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9444    7.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8081    7.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8081    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9444    9.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9444    6.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6716    9.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5520    8.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4325    9.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4325   10.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5520   10.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6716   10.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4894    9.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167    6.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1845   11.0892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5520   11.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6943    7.4237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4062    7.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6691    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8634    9.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8808   11.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5938   11.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7184   12.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5879    9.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6778    9.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7735    9.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7823   11.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6923   11.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7011   12.5736    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>
5,7,3',4'-Tetrahydroxy-3-methoxyflavone 7-glucoside

> <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; 2844931

> <CITATION>
-

$$$$