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3-((E)-3-oxo-3-phenylprop-1-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

View entire compound with spectra: 1 MS (GC)

3-((E)-3-oxo-3-phenylprop-1-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
SpectraBase Compound ID 5xwMuD9HneG
InChI InChI=1S/C24H22O9/c25-11-19-21(28)22(29)23(30)24(33-19)32-15-7-8-16-18(10-15)31-12-14(20(16)27)6-9-17(26)13-4-2-1-3-5-13/h1-10,12,19,21-25,28-30H,11H2/b9-6+/t19-,21-,22+,23-,24-/m1/s1
InChIKey COVMSLDQWFUCKN-URWRHWFQSA-N
Mol Weight 454.43 g/mol
Molecular Formula C24H22O9
Exact Mass 454.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HM6jnO54ZRB
Name 3-((E)-3-oxo-3-phenylprop-1-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O9
InChI InChI=1S/C24H22O9/c25-11-19-21(28)22(29)23(30)24(33-19)32-15-7-8-16-18(10-15)31-12-14(20(16)27)6-9-17(26)13-4-2-1-3-5-13/h1-10,12,19,21-25,28-30H,11H2/b9-6+/t19-,21-,22+,23-,24-/m1/s1
InChIKey COVMSLDQWFUCKN-URWRHWFQSA-N
Molecular Weight 454.431 g/mol
SMILES O[C@@]1([C@]([C@@]([C@](O[C@]1(Oc1cc2c(cc1)C(=O)C(\C=C\C(c1ccccc1)=O)=CO2)[H])(CO)[H])(O)[H])(O)[H])[H]
SPLASH splash10-01ox-2905100000-b5304129141c1283f881
Source of Spectrum Y1-48B-1555-4a
Wiley ID 1744568