LMPK12110470
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.5101    8.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    7.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433    7.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1765    7.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1765    8.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433    9.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0096    7.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8427    7.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8427    8.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0096    9.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6754    9.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5585    8.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4411    9.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4411   10.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5585   10.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6754   10.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0096    6.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3234   10.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3234    8.7364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0946   10.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0945   12.1918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3639   13.1881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4945   10.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8097   13.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3627   10.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2292   10.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2279   11.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3626   12.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4960   11.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6306   12.1874    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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  7 19  2  0  0  0  0
 14 20  1  0  0  0  0
 13 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  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 27  6  1  6     0  0
M  END
> <LM_ID>
LMPK12110470

> <COMMON_NAME>
Orientin

> <SYSTEMATIC_NAME>
8-beta-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Luteolin 8-C-beta-D-glucopyranoside

> <INCHI_KEY>
PLAPMLGJVGLZOV-VPRICQMDSA-N

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

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC(C3C=CC(O)=C(O)C=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
C10114

> <HMDB_ID>
-

> <CHEBI_ID>
7781

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281675

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 467334

> <CITATION>
13534563

$$$$