LMPK12112554
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   12.1022    9.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1022    8.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9884    7.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8745    8.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8745    9.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9884    9.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7608    7.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6468    8.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6468    9.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7608    9.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7608    6.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5326    9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4358    9.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3389    9.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3389   10.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4358   11.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5326   10.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2164    9.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5326    7.7524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2695   11.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2417    9.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4358   12.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9884    6.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1190    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0569    8.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0641    8.3559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2352   10.1727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8033   10.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3980   11.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2222    9.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6425    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6437    9.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294   10.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8092   10.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3948   11.8040    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
  8 19  1  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 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 18  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>
LMPK12112554

> <COMMON_NAME>
Myricetin 5-methyl ether 7-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>
ADZVQTOLVGOLAN-ROSPJSJWSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-11-4-8(33-22-20(31)18(29)16(27)13(6-23)35-22)5-12-14(11)17(28)19(30)21(34-12)7-2-9(24)15(26)10(25)3-7/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13-,16-,18+,20-,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)=C(O)C=3)=C(O)C(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163103329

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$