LMPK12112706
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.6045    8.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6045    7.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3489    7.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3489    8.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    9.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2211    7.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0932    7.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0932    8.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2211    9.3817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2211    6.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9652    9.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8539    8.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7429    9.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7429   10.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8539   10.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9652   10.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5021   11.0615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8539   11.9474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9054    7.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7037    7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5203   13.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0629   15.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9337   14.4979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5634   12.2363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9116   13.2898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6225   12.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558   13.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2298   14.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1651   13.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3318   12.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2672   12.5245    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 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>
LMPK12112706

> <COMMON_NAME>
Quercetin 3-methyl ether 3'-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>
VUGZODBTVLLVFQ-UKWZQOBBSA-N

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

> <SMILES>
C1(O)=CC2OC(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
51136430

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$