LMPK12112400
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.6964    7.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964    7.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4103    6.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1243    7.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1243    7.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4103    8.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8382    6.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5522    7.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5522    7.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8382    8.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8382    5.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2661    8.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    7.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7215    8.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7215    9.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    9.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2661    9.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4103    5.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9824    8.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2661    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2661    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2661    5.8243    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4417    5.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0904    5.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4354    9.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8633    8.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1494    9.1378    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5616    9.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7372    8.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2685    7.8853    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8563    8.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806    7.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   10.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6447   10.7581    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
 18  3  1  0  0  0  0
  1 19  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 21 22  1  0  0  0  0
 20 22  1  0  0  0  0
  8 20  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
 25 27  1  0  0  0  0
 15 25  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
 19 31  1  0  0  0  0
 16 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112400

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

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H12O16S3

> <MASS>
555.93

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL5FADNSS005

> <PUBCHEM_COMPOUND_ID>
13831734

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12112400

$$$$