LMPK12112552
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5891    9.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891    8.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4461    7.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3029    8.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3029    9.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4461    9.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1599    7.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167    8.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167    9.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1599    9.5637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1599    6.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8735    9.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7466    9.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200    9.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200   10.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7466   11.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8735   10.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0151    7.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4930   11.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7466   12.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4930    9.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4461    6.7966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2013    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8909    6.5342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2244    4.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6840    3.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4106    5.6071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1488    3.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1827    6.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1206    5.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2865    4.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5163    4.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5784    4.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8082    3.9874    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  8  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 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  0     0  0
 34 35  1  1     0  0
 30 19  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12112552

> <COMMON_NAME>
Myricetin 5-methyl ether 3-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O13

> <MASS>
494.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JRIJCTZIZZPYSD-CLXWZIMCSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-11-4-8(24)5-12-14(11)17(29)21(20(33-12)7-2-9(25)15(27)10(26)3-7)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16-,18+,19-,22+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178336221

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$