LMPK12050231
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   11.6956    9.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6956    8.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5880    7.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4804    8.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4804    9.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5880   10.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3727    7.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2650    8.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2650    9.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3727   10.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3727    7.1435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5880    7.0865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9409    9.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2637    6.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1117    6.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9600    6.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9600    7.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1117    8.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2637    7.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8075    8.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8080    6.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6554    6.4260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9079    5.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1658    6.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9077    8.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3968    7.7909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7843    7.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7843    6.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9077    6.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0369    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0369    7.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1658    8.4434    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
  3 12  1  0  0  0  0
  1 13  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 19  8  1  0  0  0  0
 16 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
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  2  1  1     0  0
M  END
> <LM_ID>
LMPK12050231

> <COMMON_NAME>
6-C-Glucosylorobol

> <SYSTEMATIC_NAME>
5,7,3',4'-Tetrahydroxyisoflavone 6-C-glucoside

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PLNWXFMMLGXLNL-RDZBXBSQSA-N

> <INCHI>
InChI=1S/C21H20O11/c22-5-13-17(27)19(29)20(30)21(32-13)14-11(25)4-12-15(18(14)28)16(26)8(6-31-12)7-1-2-9(23)10(24)3-7/h1-4,6,13,17,19-25,27-30H,5H2/t13-,17-,19+,20-,21+/m1/s1

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(O)=C(O)C=3)C(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102023274

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 450027

> <CITATION>
-

$$$$