LMPK12112908
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   12.5050    8.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5050    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3769    7.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2489    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2489    8.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3769    9.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1208    7.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9926    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9926    8.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1208    9.3806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1208    6.5821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8643    9.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7528    8.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6415    9.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6415   10.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7528   10.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8643   10.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6334    9.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3769    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7528   11.9454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5299   10.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6334    7.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6587    7.4860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4139    7.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8930    8.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667    9.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1833   11.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7772   10.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9841   12.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7715    9.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9014    9.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0367    9.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0452   10.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9153   11.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9236   12.3905    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
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  2 22  1  0  0  0  0
  8 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>
LMPK12112908

> <COMMON_NAME>
Quercetagetin 3-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>
ACXKZFDCISQHGW-GUOJVKGFSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-21-17(29)13-10(33-20(21)7-2-3-8(24)9(25)4-7)5-11(14(26)16(13)28)34-22-19(31)18(30)15(27)12(6-23)35-22/h2-5,12,15,18-19,22-28,30-31H,6H2,1H3/t12-,15-,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)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21599446

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$