LMPK12111725
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.7470    8.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7470    7.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4648    7.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4648    8.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060    9.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3237    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1828    7.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1828    8.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3237    9.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3237    6.7259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    9.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9170    8.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7922    9.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7922   10.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9170   10.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414   10.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8883    9.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060    6.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0150    7.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6675   10.9988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8647    6.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0286    4.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3452    3.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2540    5.8591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7588    3.2728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0981    6.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0229    6.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1038    4.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2621    4.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3372    4.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4955    4.2620    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
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 15 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 20  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>
LMPK12111725

> <COMMON_NAME>
Astragalin

> <SYSTEMATIC_NAME>
3-(beta-D-Glucopyranosyloxy)-4?,5,7-trihydroxyflavone

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Kaempferol 3-O-beta-D-glucoside; Kaempferol 3-glucoside

> <INCHI_KEY>
JPUKWEQWGBDDQB-QSOFNFLRSA-N

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

> <SMILES>
C1(O)=CC2OC(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>
C12249

> <HMDB_ID>
-

> <CHEBI_ID>
30200

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282102

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47065

> <CITATION>
-

$$$$