LMPK12111255
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.1328   -7.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1328   -8.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9646   -8.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7964   -8.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7964   -7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9646   -6.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -8.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4596   -8.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4596   -7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -6.8717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -9.7710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3072   -6.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1548   -7.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0023   -6.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0023   -5.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1548   -5.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3072   -5.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1548   -4.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9646   -9.7710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2853   -6.7865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3072   -3.9266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7965   -3.0790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4596   -3.4373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8178   -4.7741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5449   -6.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6973   -5.8840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1867   -5.0363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8499   -5.3946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2080   -6.7316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2853   -8.8015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4193   -8.3016    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
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  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
 18 21  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
 28 15  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0     0  0
M  END
> <LM_ID>
LMPK12111255

> <COMMON_NAME>
6-Methoxyluteolin 3',4'-disulfate

> <SYSTEMATIC_NAME>
5,7,3',4'-Tetrahydroxy-6-methoxyflavone 3',4'-disulfate

> <FORMULA>
C16H12O13S2

> <MASS>
475.97

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SSIWKQVIFLSBDM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O13S2/c1-26-16-9(18)6-13-14(15(16)19)8(17)5-11(27-13)7-2-3-10(28-30(20,21)22)12(4-7)29-31(23,24)25/h2-6,18-19H,1H3,(H,20,21,22)(H,23,24,25)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13845921

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 489088

> <CITATION>
-

$$$$