LMPK12111975
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   16.2113   11.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2113   10.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1207    9.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0303   10.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0303   11.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1207   11.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3018    9.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3922   10.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4827    9.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4827    8.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3922    8.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3018    8.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5732   10.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6636    9.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6636    8.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5732    8.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3922    7.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7542   10.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1644    7.9886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7950   11.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5732    7.1265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1644    7.0910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.1644    6.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0676    7.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5342    7.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2226    8.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854    7.6836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8851    9.1075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0826   10.5780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7882    9.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5224    8.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510    8.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8510    9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1168   10.3251    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
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 34 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  0     0  0
 30 18  1  1     0  0
 31 26  1  6     0  0
 32 27  1  1     0  0
 33 28  1  1     0  0
M  END
> <LM_ID>
LMPK12111975

> <COMMON_NAME>
Kaempferol 3-sulfate-7-alpha-arabinopyranoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O13S

> <MASS>
498.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WQCLONBBNHKASY-IEGSVRCHSA-N

> <INCHI>
InChI=1S/C20H18O13S/c21-9-3-1-8(2-4-9)18-19(33-34(27,28)29)16(25)14-11(22)5-10(6-13(14)32-18)31-20-17(26)15(24)12(23)7-30-20/h1-6,12,15,17,20-24,26H,7H2,(H,27,28,29)/t12-,15-,17+,20-/m0/s1

> <SMILES>
C1C=C(O)C=CC=1C1=C(OS(=O)(=O)O)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259045

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$