| SpectraBase Compound ID | 1pSYdxbjLLN |
|---|---|
| InChI | InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
| InChIKey | MGJLSBDCWOSMHL-MIUGBVLSSA-N |
| Mol Weight | 430.41 g/mol |
| Molecular Formula | C22H22O9 |
| Exact Mass | 430.126382 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6oppgfn71wB |
|---|---|
| Name | 3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl .beta.-D-glucopyranoside |
| Alternate Name(s) | 3-(4-Methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 3-(4-Methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one 3-(4-Methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone 3-(4-Methoxyphenyl)-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one 7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22O9 |
| InChI | InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
| InChIKey | MGJLSBDCWOSMHL-MIUGBVLSSA-N |
| Molecular Weight | 430.409 g/mol |
| SMILES | O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(Oc1cc2OC=C(C(c2cc1)=O)c1ccc(cc1)OC)[H])[H])(O)[H])[H] |
| SPLASH | splash10-014i-2190000000-902ff507b51fc37a96be |
| Source of Spectrum | G-55-1264-0 |
| Wiley ID | 748188 |