| SpectraBase Compound ID | A4FeUvOZtJa |
|---|---|
| InChI | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
| InChIKey | KMOUJOKENFFTPU-QNDFHXLGSA-N |
| Mol Weight | 432.38 g/mol |
| Molecular Formula | C21H20O10 |
| Exact Mass | 432.105647 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5F5HH39QtTR |
|---|---|
| Name | Apigenin-7-O-.beta.-D-Glucopyranoside |
| Alternate Name(s) | 5-Hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 5-Hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one 5-Hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone 5-Hydroxy-2-(4-hydroxyphenyl)-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-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O10 |
| InChI | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
| InChIKey | KMOUJOKENFFTPU-QNDFHXLGSA-N |
| Molecular Weight | 432.381 g/mol |
| SMILES | Oc1cc(O[C@]2([C@@]([C@]([C@@]([C@](O2)(CO)[H])(O)[H])(O)[H])(O)[H])[H])cc2OC(=CC(c12)=O)c1ccc(cc1)O |
| SPLASH | splash10-00di-3490000000-0ccca7eba986a2b5d209 |
| Source of Spectrum | CD-325-0-0 |
| Wiley ID | 1382167 |