LMPK12111259
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.2130    8.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2130    7.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0399    7.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8666    7.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8666    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0399    8.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6935    7.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5203    7.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5203    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6935    8.9430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6935    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3629    8.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2056    8.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0483    8.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0483    9.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2056   10.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3629    9.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0399    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3703    9.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3703   10.0009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433   10.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3703   10.9738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3973   10.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8909   10.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7335    9.9252    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.2470    9.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5761    9.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2200   10.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2056   11.3850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5153   12.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3703    7.0244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 29 30  1  0  0  0  0
 31 32  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
  3 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
  1 19  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 24 15  1  0  0  0  0
  2 31  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111259

> <COMMON_NAME>
6-Hydroxyluteolin 6,3'-dimethyl ether 7,4'-disulfate

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

> <FORMULA>
C17H14O13S2

> <MASS>
489.99

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QFXPVCDOALBRGI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O13S2/c1-26-12-5-8(3-4-10(12)29-31(20,21)22)11-6-9(18)15-13(28-11)7-14(30-32(23,24)25)17(27-2)16(15)19/h3-7,19H,1-2H3,(H,20,21,22)(H,23,24,25)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187809

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13845923

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 222877

> <CITATION>
-

$$$$