LMPK12111258
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.1825    8.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1825    7.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9978    7.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8131    7.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8131    8.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9978    8.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281    7.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4435    7.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4435    8.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6282    8.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2743    8.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1050    8.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9357    8.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9357    9.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1050   10.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2743    9.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9978    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7665   10.3505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520    8.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520    9.9453    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3113    9.9453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520   10.9046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3926    9.9453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520    7.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1050   11.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6700   12.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  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 15  1  0  0  0  0
 20 21  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
  1 20  1  0  0  0  0
  2 25  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111258

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

> <SYSTEMATIC_NAME>
6,3'-methoxy-5,7,4'-trihydroxyflavone 7-sulfate

> <FORMULA>
C17H14O10S

> <MASS>
410.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Jaceosidin 7-sulfate

> <INCHI_KEY>
ZZXVYRCXTONYML-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O10S/c1-24-12-5-8(3-4-9(12)18)11-6-10(19)15-13(26-11)7-14(27-28(21,22)23)17(25-2)16(15)20/h3-7,18,20H,1-2H3,(H,21,22,23)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169305

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13845909

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 222877

> <CITATION>
-

$$$$