LMPK12112914
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   12.7562    8.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7562    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6289    7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5016    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5016    8.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6289    9.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3744    7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2471    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2471    8.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3744    9.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3744    6.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1196    9.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0090    8.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8986    9.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8986   10.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0090   10.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1196   10.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8837    9.2004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8654    7.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6289    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0090   11.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7878   10.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0409    7.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3540    7.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1434    8.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4170    9.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336   11.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0275   10.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2344   12.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0218    9.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1517    9.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2871    9.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2955   10.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1656   11.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1740   12.2105    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
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 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  1     0  0
 30 18  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12112914

> <COMMON_NAME>
Patuletin 7-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O13

> <MASS>
494.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AFCDXKGLUDDXCK-LMTLLXHESA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
192441

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320435

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$