LMPK12112904
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    8.1374    8.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1374    7.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9768    7.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8162    7.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8162    8.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9768    9.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6556    7.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4950    7.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4950    8.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6556    9.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6556    6.5925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3340    9.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1897    8.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0451    9.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0451   10.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1897   10.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3340   10.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4729    7.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9002   10.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9768    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822   11.2711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822   10.2835    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822    9.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2697   10.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1897   11.7557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822    7.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4269    7.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2928    7.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9242    6.6757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7337    4.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1945    5.4261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8198    3.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2876    6.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1974    6.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0144    6.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9190    5.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0092    4.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9138    3.8549    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  8  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
  1 23  1  0  0  0  0
 16 26  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 33 39  1  0     0  0
 38 32  1  0     0  0
 32 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  1     0  0
 34 18  1  1     0  0
 35 29  1  6     0  0
 36 30  1  1     0  0
 37 31  1  6     0  0
M  END
> <LM_ID>
LMPK12112904

> <COMMON_NAME>
Patuletin 3-glucoside-7-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O16S

> <MASS>
574.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DMVNSIHCOCHGOK-OOVDEOTFSA-N

> <INCHI>
InChI=1S/C22H22O16S/c1-34-20-11(38-39(31,32)33)5-10-13(15(20)27)16(28)21(19(35-10)7-2-3-8(24)9(25)4-7)37-22-18(30)17(29)14(26)12(6-23)36-22/h2-5,12,14,17-18,22-27,29-30H,6H2,1H3,(H,31,32,33)/t12-,14-,17+,18-,22+/m1/s1

> <SMILES>
C1(OS(=O)(=O)O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101421040

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$