LMPK12111109
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   13.0785    8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0785    7.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8734    7.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6682    7.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6682    8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8734    8.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4630    7.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2581    7.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2581    8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4630    8.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4630    6.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0525    8.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8627    8.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6727    8.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6727    9.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8627   10.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0525    9.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2840    8.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4826   10.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8734    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2854    7.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9867    7.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0179    7.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3505    9.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9638    9.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6474   11.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3016    9.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6530    8.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6664    8.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3329    9.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9815   10.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6478   11.1193    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
 15 19  1  0  0  0  0
 20  3  1  0  0  0  0
  2 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 27 18  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12111109

> <COMMON_NAME>
Scutellarein 7-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VUGRLRAUZWGZJP-IAAKTDFRSA-N

> <INCHI>
InChI=1S/C21H20O11/c22-7-14-17(26)19(28)20(29)21(32-14)31-13-6-12-15(18(27)16(13)25)10(24)5-11(30-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1O

> <KEGG_ID>
C17056

> <HMDB_ID>
-

> <CHEBI_ID>
80895

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320623

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$