LMPK12112642
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.8794    7.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8794    6.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5658    6.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2521    6.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2521    7.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5658    8.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9385    6.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6249    6.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6249    7.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9385    8.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9385    5.7926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    8.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0107    7.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7103    8.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7103    8.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0107    9.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    8.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5658    5.7925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    6.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    5.7926    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    5.7926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1038    5.7926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3967    9.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0107   10.1743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792   10.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.1701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  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
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 20 21  1  0  0  0  0
 19 21  1  0  0  0  0
  8 19  1  0  0  0  0
 15 24  1  0  0  0  0
  1 27  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112642

> <COMMON_NAME>
Rhamnazin 3-O-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O10S

> <MASS>
410.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PQRWDTSPYVEMMM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O10S/c1-24-9-6-11(19)14-13(7-9)26-16(17(15(14)20)27-28(21,22)23)8-3-4-10(18)12(5-8)25-2/h3-7,18-19H,1-2H3,(H,21,22,23)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15290613

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$