LMPK12112965
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   12.9598    8.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0896    9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0896   10.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9598   10.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8301   10.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8301    9.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2195    8.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3493    9.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791    8.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4791    7.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3493    7.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2195    7.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089    9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7388    8.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7388    7.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089    7.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3493    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8686    9.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0896    7.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7002   10.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9598   11.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9335    7.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7144   12.8836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4550   13.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1760   12.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4338   10.8700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9293   11.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5678   11.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5749   12.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4480   12.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3084   12.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3013   11.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1619   10.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 15 23  1  0  0  0  0
 18 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 21  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>
LMPK12112965

> <COMMON_NAME>
Quercetagetin 7-methyl ether 4'-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>
OHSGVBDKNDXXOL-CQZUKOJFSA-N

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

> <SMILES>
C1C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(O)=CC=1C1=C(O)C(=O)C2C(O)=C(O)C(OC)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100978777

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$