LMPK12112881
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.8862   -5.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8862   -6.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7326   -7.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5790   -6.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5790   -5.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7326   -5.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4253   -7.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2718   -6.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2718   -5.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4253   -5.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4253   -8.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1182   -5.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9808   -5.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8434   -5.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8434   -4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9808   -3.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1182   -4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7326   -8.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6898   -3.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0398   -5.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3469   -6.3700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1933   -5.8814    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046   -5.0348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6821   -6.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0398   -7.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1182   -7.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9842   -6.8472    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
 20  1  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
  2 25  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0     0  0
M  END
> <LM_ID>
LMPK12112881

> <COMMON_NAME>
6-Hydroxykaempferol 3-methyl ether 7-O-sulfate

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

> <FORMULA>
C16H12O10S

> <MASS>
396.02

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KDVOBVBPKCRDQE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O10S/c1-24-16-14(20)11-9(25-15(16)7-2-4-8(17)5-3-7)6-10(12(18)13(11)19)26-27(21,22)23/h2-6,17-19H,1H3,(H,21,22,23)

> <SMILES>
C1(OS(O)(=O)=O)=CC2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259772

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 183056

> <CITATION>
-

$$$$