Mrv0541 11181316252D          

 30 33  0  0  0  0            999 V2000
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    2.8633   -4.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5821   -3.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -3.1527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5761   -4.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2939   -3.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4396   -3.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4362   -4.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 12 17  1  0  0  0  0
 18 12  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 23 17  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  6  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  1  0  0  0
 28 30  1  6  0  0  0
  9 10  1  0  0  0  0
 14 19  1  0  0  0  0
 20 21  2  0  0  0  0
 24 28  1  0  0  0  0
  2  6  1  0  0  0  0
 12  6  1  1  0  0  0
M  END
> <ID>
CHEBI:76294

> <NAME>
kaempferol 3-O-beta-D-xyloside

> <DEFINITION>
A glycosyloxyflavone that is apigenin substituted kaempferol in which the hydroxyl hydrogen at position 3 is replaced by a β-D-xylosyl residue

> <STAR>
3

> <SYNONYM>
kaempferol 3-O-beta-D-xylopyranoside

> <IUPAC_NAME>
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-xylopyranoside

> <FORMULA>
C20H18O10

> <MASS>
418.35090

> <MONOISOTOPIC_MASS>
418.09000

> <CHARGE>
0

> <SMILES>
O[C@@H]1CO[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@H]1O

> <INCHI>
InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1

> <INCHIKEY>
RNVUDWOQYYWXBJ-BWYUNELBSA-N

> <REAXYS_REGISTRY_NUMBER>
7575960

> <METACYC_ACCESSION>
CPD-15540

> <PUBMED_CITATION>
11876444

$$$$