LMPK12113029
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.7267    7.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7267    6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4384    6.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1502    6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1502    7.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4384    7.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8619    6.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5736    6.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5736    7.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8619    7.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8619    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2854    7.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0107    7.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7362    7.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7362    8.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0108    8.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2854    8.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4384    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4480    8.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0108    9.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2854    6.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    8.5349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    9.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8367    8.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    7.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    6.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3032    6.4802    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
 18  3  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
  8 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 26 22  1  0  0  0  0
 26  1  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113029

> <COMMON_NAME>
Patuletin 7-O-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O11S

> <MASS>
412.01

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZZGGTOGGQXZBDV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O11S/c1-25-16-10(27-28(22,23)24)5-9-11(13(16)20)12(19)14(21)15(26-9)6-2-3-7(17)8(18)4-6/h2-5,17-18,20-21H,1H3,(H,22,23,24)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
189787

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259876

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$