| SpectraBase Compound ID | FyRMKCViFZQ |
|---|---|
| InChI | InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-14-3-1-2-13-17(14)12(24)8-15(28-13)10-4-6-11(23)7-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1 |
| InChIKey | DSZDHEUHWSJWKX-QNDFHXLGSA-N |
| Mol Weight | 416.38 g/mol |
| Molecular Formula | C21H20O9 |
| Exact Mass | 416.110732 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 95U3tQ8oR30 |
|---|---|
| Name | 5,4'-Dihydroxyflavone-5-O-.beta.-D-glucopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O9 |
| InChI | InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-14-3-1-2-13-17(14)12(24)8-15(28-13)10-4-6-11(23)7-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1 |
| InChIKey | DSZDHEUHWSJWKX-QNDFHXLGSA-N |
| Molecular Weight | 416.382 g/mol |
| SMILES | O[C@@]1([C@]([C@@]([C@](O[C@]1(Oc1c2C(C=C(c3ccc(cc3)O)Oc2ccc1)=O)[H])(CO)[H])(O)[H])(O)[H])[H] |
| SPLASH | splash10-0ka9-1900100000-fc3e6432595dfed7ffce |
| Source of Spectrum | Y1-44B-404-4 |
| Synonyms | Verbenacoside 2-(4-hydroxyphenyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one 2-(4-hydroxyphenyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one 2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one 5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)chromen-4-one |
| Wiley ID | 1744347 |