LMPK12112311
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0  0  0  0  0  0  0  0999 V2000
    8.0448    7.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0448    6.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7829    6.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5210    6.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5210    7.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7829    7.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2592    6.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9973    6.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9973    7.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2592    7.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2592    5.4350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7352    7.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875    7.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2397    7.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2397    8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875    9.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7352    8.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7829    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8213    6.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5727    6.0370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7245    6.0449    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7245    6.6943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7245    5.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3069    7.8040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9833    9.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4576    7.8511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4576    8.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4576    7.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5979    9.0474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7495    9.0552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7495    9.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7495    8.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4875    9.9754    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
  8 19  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
  1 24  1  0  0  0  0
 15 25  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  2  0  0  0  0
 30 31  1  0  0  0  0
 25 31  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112311

> <COMMON_NAME>
Quercetin 3,7,4'-tri-O-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H10O16S3

> <MASS>
541.91

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C03898

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
28167

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL5FACNSS008

> <PUBCHEM_COMPOUND_ID>
5280632

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12112311

$$$$