LMPK12111171
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.1615    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1615    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8760    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5904    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5904    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8760    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3049    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4470    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4470    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0194    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7338    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7338    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0194    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3049    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8760    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0181    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0181    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4470    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4483    8.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3036    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0181    8.5475    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8431    8.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0181    9.3725    0.0000 O   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
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111171

> <COMMON_NAME>
Hispidulin 7-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O9S

> <MASS>
380.02

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WONZXVKRFAHSAK-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185482

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13831736

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$