LMPK12050132
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   10.5286    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4266    9.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3243    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2218    9.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2218    8.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1527    7.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0834    8.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0834    9.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1527    9.8046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4268    8.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3243    7.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1527    6.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0135    7.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0135    6.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9033    6.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7931    6.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7931    7.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9033    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3243   10.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5122    6.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1923    6.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5150    7.8615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8418    6.9114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1873    7.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622    9.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4633    9.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6946    9.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6878    8.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8485    7.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0214    8.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0283    9.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2010    9.8088    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 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  1  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>
LMPK12050132

> <COMMON_NAME>
Retusin 7-O-glucoside

> <SYSTEMATIC_NAME>
7,8-Dihydroxy-4'-methoxyisoflavone 7-O-glucoside

> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CJPPXZWWEOEKFP-IWLDQSELSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-21-12(16(13)24)6-7-14(18(21)26)31-22-20(28)19(27)17(25)15(8-23)32-22/h2-7,9,15,17,19-20,22-23,25-28H,8H2,1H3/t15-,17-,19+,20-,22-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=CC2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257259

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1071187

> <CITATION>
-

$$$$