LMPK12111833
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.6001   12.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6027   11.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5312   10.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4568   11.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4539   12.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5257   12.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3853   10.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3106   11.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079   12.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3796   12.9088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3873    9.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4733   13.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4194   12.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3630   13.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3600   14.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4140   14.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4705   14.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   12.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2098   14.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5337    9.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0317   10.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8726   11.8203    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.6703   11.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1763   12.4759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1095   12.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6793   11.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4873   11.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6448    9.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0160    9.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9632    7.6912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9342   10.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7580   10.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6637   10.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7423    9.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9186    8.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9973    7.9518    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
  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
  4  3  1  0  0  0  0
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 20  3  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
  8 21  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 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  0     0  0
 35 36  1  1     0  0
 31 21  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
 27 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111833

> <COMMON_NAME>
Kaempferol 3-(3''-sulfatoglucoside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O14S

> <MASS>
528.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OSLUOTYHBWLMHD-WDHBMTDXSA-N

> <INCHI>
InChI=1S/C21H20O14S/c22-7-13-15(26)19(35-36(29,30)31)17(28)21(33-13)34-20-16(27)14-11(25)5-10(24)6-12(14)32-18(20)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-26,28H,7H2,(H,29,30,31)/t13-,15-,17-,19+,21+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258905

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$