LMPK12112625
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8915    8.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8915    7.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5897    6.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2880    7.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2880    8.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5897    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9863    6.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6846    7.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6846    8.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9863    8.4727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9863    6.0539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3829    8.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0946    8.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8063    8.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8063    9.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0946    9.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3829    9.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5897    6.0537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5046    9.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0946   10.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3829    6.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3829    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3829    6.0539    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5765    6.0539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1891    6.0539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.4728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 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
  1 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112625

> <COMMON_NAME>
Rhamnetin 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>
ZSMARJBHMMLACO-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)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>
44259603

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$