LMPK12110737
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.0368    7.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0368    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7194    6.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4020    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4020    7.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7194    7.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0845    6.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7672    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7672    7.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0845    7.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0845    5.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4495    7.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452    7.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8408    7.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8408    8.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452    8.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4495    8.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7194    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452    9.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7339    8.9293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3086    6.7782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3086    7.7005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298    7.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3086    8.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2064   10.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452   10.6968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1173   11.4459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2056   10.6968    0.0000 O   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
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24  1  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 19 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110737

> <COMMON_NAME>
Luteolin 7,3'-disulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H10O12S2

> <MASS>
445.96

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WFETZDMFLGONLW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O12S2/c16-9-2-1-7(3-13(9)27-29(22,23)24)12-6-11(18)15-10(17)4-8(5-14(15)25-12)26-28(19,20)21/h1-6,16-17H,(H,19,20,21)(H,22,23,24)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258153

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$