LMPK12112906
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   12.0041    8.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0041    7.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8876    7.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7711    7.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7711    8.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8876    9.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6545    7.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5380    7.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5380    8.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6545    9.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6545    6.5849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4212    9.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3216    8.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2221    9.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2221   10.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3216   10.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4212   10.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209    9.4205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3030    7.4488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8876    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3216   12.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1222   10.9798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209    7.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1080    7.6943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1063    7.7086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1223    9.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6257   10.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497   11.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1224    9.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6160    8.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6127    8.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1208    9.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6272   10.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1352   11.1724    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
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
  2 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 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  1     0  0
 29 18  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12112906

> <COMMON_NAME>
Quercetagetin 7-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O13

> <MASS>
480.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IDTDRZPBDLMCLB-HSOQPIRZSA-N

> <INCHI>
InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/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(O)C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191744

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320826

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$