LMPK12111356
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
   11.0734    8.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0734    7.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9401    7.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8066    7.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8066    8.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9401    9.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066    9.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3399    8.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3399    7.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066    7.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6733    9.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5403    8.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4068    9.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4068   10.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5403   10.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6733   10.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2736   10.8669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066    6.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9401    6.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    9.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066   10.3666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1403   10.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619   12.2181    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611   12.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619   13.2189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619   11.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5352   12.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8333   13.7779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7979   13.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8407   10.9483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9714   12.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8532   11.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5175   12.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1692   12.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1514   12.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4871   11.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4695   11.5283    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
 14 17  1  0  0  0  0
 10 18  1  0  0  0  0
  3 19  2  0  0  0  0
  8 20  1  0  0  0  0
  7 21  1  0  0  0  0
 17 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 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  0     0  0
 36 37  1  1     0  0
 32 21  1  1     0  0
 33 27  1  6     0  0
 34 28  1  1     0  0
 35 29  1  6     0  0
 27 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111356

> <COMMON_NAME>
Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)

> <SYSTEMATIC_NAME>
5,7,8-Trihydroxy-4'-methoxyflavone 8-(2"-sulfatoglucoside)

> <FORMULA>
C22H22O14S

> <MASS>
542.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ICXGFKZMXFCHLZ-NPJIIEKKSA-N

> <INCHI>
InChI=1S/C22H22O14S/c1-32-10-4-2-9(3-5-10)14-7-12(25)16-11(24)6-13(26)19(20(16)33-14)35-22-21(36-37(29,30)31)18(28)17(27)15(8-23)34-22/h2-7,15,17-18,21-24,26-28H,8H2,1H3,(H,29,30,31)/t15-,17-,18+,21-,22+/m1/s1

> <SMILES>
C12C(O[C@H]3[C@H](OS(=O)(=O)O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C(O)C=C(O)C=1C(=O)C=C(C1C=CC(OC)=CC=1)O2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101618013

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 145745

> <CITATION>
-

$$$$