LMPK12111172
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.5248    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7209   10.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0868    9.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0868   11.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4529    9.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5868   10.3606    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  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  1  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  7  1  0  0  0  0
  3 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 14 21  1  0  0  0  0
 19 22  1  0  0  0  0
 26 23  2  0  0  0  0
 26 24  2  0  0  0  0
 26 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111172

> <COMMON_NAME>
Hispidulin 4'-sulfate

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-6-methoxyflavone 4'-sulfate

> <FORMULA>
C16H12O9S

> <MASS>
380.02

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YGPUEGZSDQVYKY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O9S/c1-23-16-11(18)7-13-14(15(16)19)10(17)6-12(24-13)8-2-4-9(5-3-8)25-26(20,21)22/h2-7,18-19H,1H3,(H,20,21,22)

> <SMILES>
C12C=C(O)C(OC)=C(O)C=1C(=O)C=C(C1C=CC(OS(O)(=O)=O)=CC=1)O2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13845905

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 222877

> <CITATION>
-

$$$$