LMPK12111254
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.4976    8.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4976    7.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3268    7.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1559    7.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1559    8.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3268    9.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9852    7.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8146    7.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8146    8.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9852    9.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9852    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6597    9.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5048    8.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3499    9.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3499   10.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5048   10.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6597   10.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5048   11.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1949   10.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3268    6.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6525    9.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6525   10.3124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6283   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6525   11.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6766   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6525    7.3274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  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
 19 15  1  0  0  0  0
  3 20  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
  1 21  1  0  0  0  0
  2 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111254

> <COMMON_NAME>
6-Methoxyluteolin 7-sulfate

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

> <FORMULA>
C16H12O10S

> <MASS>
396.02

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Nepetin 7-sulfate

> <INCHI_KEY>
NOCHZYLEPAPRNC-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13845907

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 222877

> <CITATION>
-

$$$$