Mrv0541 10011409472D          

 22 24  0  0  0  0            999 V2000
    6.2886   -7.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2886   -6.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0049   -7.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5723   -7.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9966   -6.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5723   -6.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7170   -7.3297    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8601   -7.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7129   -6.5010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8601   -6.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0049   -8.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4251   -6.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5765   -8.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -7.7337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480   -6.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -5.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438   -7.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1372   -6.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8494   -6.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1247   -4.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8452   -5.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  3  2  0  0  0  0
  9 12  1  1  0  0  0
 13  4  1  0  0  0  0
  7 14  1  6  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17  8  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  5  9  1  0  0  0  0
 10  6  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
> <ID>
CHEBI:70653

> <NAME>
(2S,3S)-3,5,7-trihydroxy-6,8-dimethylflavanone

> <DEFINITION>
A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 3, 5 and 7 and methyl groups at positions 6 and 8 (the 2S,3S-stereoisomer). It has been isolated from the buds of Cleistocalyx operculatus and has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.

> <STAR>
3

> <SYNONYM>
(2S,3S)-2,3-trans-5,7-dihydroxy-6,8-dimethyldihydroflavonol

> <IUPAC_NAME>
(2S,3S)-3,5,7-trihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-4H-chromen-4-one

> <FORMULA>
C17H16O5

> <MASS>
300.30590

> <MONOISOTOPIC_MASS>
300.09977

> <CHARGE>
0

> <SMILES>
Cc1c(O)c(C)c2O[C@H]([C@H](O)C(=O)c2c1O)c1ccccc1

> <INCHI>
InChI=1S/C17H16O5/c1-8-12(18)9(2)16-11(13(8)19)14(20)15(21)17(22-16)10-6-4-3-5-7-10/h3-7,15,17-19,21H,1-2H3/t15-,17+/m1/s1

> <INCHIKEY>
HDEMWSJTNCFIGR-WBVHZDCISA-N

> <PUBMED_CITATION>
20886838

$$$$