LMPK12110722
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
   16.3584   10.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3584    9.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2871    8.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2159    9.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2159   10.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2871   11.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4295    8.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5007    9.4502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5719    8.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5719    7.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5007    7.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4295    7.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6431    9.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7142    8.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7142    7.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6431    7.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5007    6.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7854    9.4502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6431    6.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1333   11.0449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9629    9.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865    6.9844    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2655    6.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6947    6.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865    6.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4881    7.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5193    8.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8519   10.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4652   10.5740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488   11.6957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8030    9.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1544    8.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1678    9.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8343    9.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829   10.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1492   11.6940    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
 16 19  1  0  0  0  0
  5 20  1  0  0  0  0
  4 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  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 18  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
 26 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110722

> <COMMON_NAME>
Luteorin 7-(2''-sulfatoglucoside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O14S

> <MASS>
528.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Thalassiolin A

> <INCHI_KEY>
RADMEXUHLCJBEW-QNDFHXLGSA-N

> <INCHI>
InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/t16-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=CC(O[C@H]3[C@H](OS(O)(=O)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5493604

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$