LMPK12110533
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    9.5193    9.8331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5265    9.8331    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5265   10.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028    9.8331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5265    8.9545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4075    9.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4075    8.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3025    7.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1976    8.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1976    9.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3025    9.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0925    7.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    8.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    9.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0925    9.8411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0925    6.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9817    9.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9145    9.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8675    9.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8874   10.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9544   11.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0017   10.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7824   11.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3025    6.7412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9544   12.5233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    6.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    5.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9305    6.2773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    8.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1676    7.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5282    7.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5282    6.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7946    6.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7946    7.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9306    8.2787    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
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 12 16  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 17 14  1  0  0  0  0
 20 23  1  0  0  0  0
  8 24  1  0  0  0  0
 21 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
 31  7  1  1     0  0
  6  1  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110533

> <COMMON_NAME>
Isoorientin 7-O-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O14S

> <MASS>
528.06

> <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>
FL3FACCSS002

> <PUBCHEM_COMPOUND_ID>
44257970

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12110533

$$$$