LMPK12113103
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    7.4889   10.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4739    9.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3664    8.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2741    9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2891   10.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3966   11.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1667    8.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0744    9.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0896   10.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1971   11.0211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1551    8.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9970   10.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9067   10.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8319   10.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8475   12.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9376   12.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0124   12.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967   11.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7655    8.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3513    7.9296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6409   12.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3929   11.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0471   12.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5368    7.8961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6940    5.9410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0818    4.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0367    7.2028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5627    4.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8450    7.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7308    7.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8081    6.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0022    5.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1165    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3105    5.6733    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
 21 15  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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  0     0  0
 33 34  1  1     0  0
 29 19  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  1     0  0
M  END
> <LM_ID>
LMPK12113103

> <COMMON_NAME>
Sexangularetin 3-galactoside

> <SYSTEMATIC_NAME>
3,5,7,4'-Tetrahydroxy-8-methoxyflavone 3-galactoside

> <FORMULA>
C22H22O12

> <MASS>
478.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LZSGYESPQHEVBU-FEJUOSLESA-N

> <INCHI>
InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14+,16+,17-,22+/m1/s1

> <SMILES>
C1(O)=C(OC)C2OC(C3C=CC(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)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54061038

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 57948

> <CITATION>
6512533

$$$$