LMPK12111573
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   12.0885    8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0885    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9691    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8499    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8499    8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9691    9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7306    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6113    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6113    8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7306    9.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7306    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4917    9.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3891    8.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2868    9.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2868   10.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3891   10.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4917   10.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2081    9.1872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3357    7.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3891   11.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1841   10.7418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1841    8.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6764    7.2577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    6.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3389    8.1772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5367    9.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9632    9.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2421    8.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9762    7.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0049    7.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3049    8.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5708    9.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8706   10.1067    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
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 14 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  0     0  0
 32 33  1  1     0  0
 28 18  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12111573

> <COMMON_NAME>
Robinetin 7-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O12

> <MASS>
464.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MVLXYRLSDKXFKJ-SKLUSFDKSA-N

> <INCHI>
InChI=1S/C21H20O12/c22-6-13-16(27)17(28)19(30)21(33-13)31-8-1-2-9-12(5-8)32-20(18(29)14(9)25)7-3-10(23)15(26)11(24)4-7/h1-5,13,16-17,19,21-24,26-30H,6H2/t13-,16-,17+,19-,21-/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)=C(O)C=3)=C(O)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258687

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$