| SpectraBase Compound ID | oAK8Nxnd54 |
|---|---|
| InChI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 |
| InChIKey | IKGXIBQEEMLURG-UHFFFAOYSA-N |
| Mol Weight | 610.52 g/mol |
| Molecular Formula | C27H30O16 |
| Exact Mass | 610.153385 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JZWK9yqgNlK |
|---|---|
| Name | Rutin |
| Alternate Name(s) | Quercetin rutinoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H30O16 |
| InChI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3 |
| InChIKey | IKGXIBQEEMLURG-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 610.521 g/mol |
| SMILES | Oc1c2C(C(OC3C(C(C(C(COC4OC(C(C(C4O)O)O)C)O3)O)O)O)=C(Oc2cc(c1)O)c1cc(c(cc1)O)O)=O |
| SPLASH | splash10-0zfr-9102000000-761d2c65d74d1233f6ab |
| Source of Spectrum | SRH-2022-631-0 |
| Wiley ID | 1823111 |