LMPK12111255
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.0165    7.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0165    6.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027    6.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3889    6.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3889    7.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027    7.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0749    6.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7611    6.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7611    7.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0749    7.6394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0749    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4603    7.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1596    7.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8588    7.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8588    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1596    8.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4603    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1596    9.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3173    7.7097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4603   10.0691    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8640   10.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7611   10.4728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0566    9.3699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9564    8.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2572    8.4543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.6609    9.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5581    8.8580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8535    7.7550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3173    6.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 30 31  1  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
M  END
> <LM_ID>
LMPK12111255

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

> <SYSTEMATIC_NAME>


> <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

> <CITATION>
-

$$$$