LMPK12111253
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.3216    8.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3216    7.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1846    7.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0473    7.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0473    8.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1846    9.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9103    7.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7732    7.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7732    8.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9103    9.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9103    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6362    9.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5155    8.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3949    9.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3949   10.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5155   10.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6362   10.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5155   11.8696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2579   10.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1846    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4587    7.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5958    7.8553    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0938    8.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.3536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0975    6.9923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4587    9.3501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4587   10.3464    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4552   10.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4587   11.3429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   10.3464    0.0000 O   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
 19 15  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 26  1  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111253

> <COMMON_NAME>
6-Hydroxyluteolin 6,7-disulfate

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

> <FORMULA>
C15H10O13S2

> <MASS>
461.96

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QHJGVHZBVOGZLD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O13S2/c16-7-2-1-6(3-8(7)17)10-4-9(18)13-11(26-10)5-12(27-29(20,21)22)15(14(13)19)28-30(23,24)25/h1-5,16-17,19H,(H,20,21,22)(H,23,24,25)

> <SMILES>
C1(OS(=O)(O)=O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1OS(=O)(O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13845917

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 489088

> <CITATION>
-

$$$$