LMPK12112590
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.8908    8.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8908    7.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5885    6.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2862    7.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2862    8.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5885    8.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9839    6.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6816    7.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6816    8.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9839    8.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9839    6.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793    8.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0905    8.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8016    8.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8016    9.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0905    9.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793    9.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793    6.8287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5885    6.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4993    9.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793    6.0230    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5736    6.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1850    6.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3793    5.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.4401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 18 21  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112590

> <COMMON_NAME>
Rhamnocitrin 3-O-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O9S

> <MASS>
380.02

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SUOFUBGWTRZSQA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O9S/c1-23-10-6-11(18)13-12(7-10)24-15(8-2-4-9(17)5-3-8)16(14(13)19)25-26(20,21)22/h2-7,17-18H,1H3,(H,20,21,22)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185297

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259570

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$