LMPK12110607
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.4131    7.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4131    6.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1603    5.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9074    6.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9074    7.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1603    7.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546    5.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4017    6.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4017    7.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546    7.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546    5.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1486    7.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9099    7.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6714    7.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6714    8.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9099    9.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1486    8.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9099    9.6155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1610    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1804    6.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8145    6.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9560    6.1142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9560    6.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9560    5.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2770    8.9297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9033    8.5682    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
 16 18  1  0  0  0  0
 19  3  1  0  0  0  0
  1 20  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
  8 21  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110607

> <COMMON_NAME>
Tamarixetin 3-O-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O10S

> <MASS>
396.02

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AMDQJKQFLBYDAD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O10S/c1-24-11-3-2-7(4-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-19H,1H3,(H,21,22,23)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187850

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14777890

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$