LMPK12112888
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5710   11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668   10.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3975   10.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2319   10.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2359   11.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4055   12.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   10.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970   10.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9010   11.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0706   12.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0593    9.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7493   12.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5978   11.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4463   12.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4504   13.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   13.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7535   13.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7408   12.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8633    9.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2988   13.7172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3934    9.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   10.3408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   14.7003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4028   15.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6710    9.1176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8314    7.1222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1860    5.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1195    8.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6357    5.8822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9445    8.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8485    8.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9274    7.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1049    6.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2009    7.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3783    6.8489    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
  3 21  1  0  0  0  0
  2 22  1  0  0  0  0
 16 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  1     0  0
M  END
> <LM_ID>
LMPK12112888

> <COMMON_NAME>
Quercetagetin 3'-methyl ether 3-galactoside

> <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>
WKICMFGWSYLLKH-PAYDUYMVSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-10-4-7(2-3-8(10)24)20-21(35-22-19(31)18(30)15(27)12(6-23)34-22)17(29)13-11(33-20)5-9(25)14(26)16(13)28/h2-5,12,15,18-19,22-28,30-31H,6H2,1H3/t12-,15+,18+,19-,22+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259778

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$