LMPK12112883
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.4525    8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4525    7.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1629    6.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734    7.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734    8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1629    8.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5838    6.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2943    7.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2943    8.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5838    8.5211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5838    6.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0047    8.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7289    8.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4530    8.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4530    9.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7289    9.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0047    9.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1629    6.0599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1634    9.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0047    5.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0047    6.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0047    6.0600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1843    6.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8252    6.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7420    8.5211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7420    6.8803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0249    8.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3088    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
  3  4  1  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
 15 19  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 21 22  1  0  0  0  0
 20 22  1  0  0  0  0
  8 21  1  0  0  0  0
  2 26  1  0  0  0  0
  1 25  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112883

> <COMMON_NAME>
Eupalitin 3-O-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O10S

> <MASS>
410.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YLELFVGSHOFEAD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O10S/c1-24-11-7-10-12(13(19)16(11)25-2)14(20)17(27-28(21,22)23)15(26-10)8-3-5-9(18)6-4-8/h3-7,18-19H,1-2H3,(H,21,22,23)

> <SMILES>
C1(OC)=CC2OC(C3C=CC(O)=CC=3)=C(OS(O)(=O)=O)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259774

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$