LMPK12113268
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0  0  0  0  0999 V2000
    5.9046    7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9046    6.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6162    6.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3277    6.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3277    7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6162    7.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0393    6.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7509    6.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7509    7.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0393    7.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0393    5.6436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6469    8.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3720    7.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0972    8.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0972    8.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3720    9.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6469    8.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6162    5.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8734    9.3713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0746    5.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2796    5.9511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2796    6.5677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6201    5.9511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2796    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3441   10.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3441   10.9246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8330   10.9246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3441   11.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982   10.9246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6162    8.7493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7239    9.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  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
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
  4  3  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23  8  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 16 25  1  0  0  0  0
  1 30  1  0  0  0  0
  6 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113268

> <COMMON_NAME>
Gossypetin 7,8-dimethyl ether 3,3'-disulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O14S2

> <MASS>
505.98

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SZBZAAQLURKCJZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O14S2/c1-27-11-6-9(19)12-13(20)17(31-33(24,25)26)14(29-16(12)15(11)28-2)7-3-4-8(18)10(5-7)30-32(21,22)23/h3-6,18-19H,1-2H3,(H,21,22,23)(H,24,25,26)

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=C(OS(=O)(O)=O)C(O)=CC=3)=C(OS(=O)(=O)O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15232042

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$