Quercetin-3-O-rutinoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302694
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302694 contains the MS2 mass spectrum of Quercetin-3-O-rutinoside with the InChIkey IKGXIBQEEMLURG-NVPNHPEKSA-N.
Source: Quercetin-3-O-rutinoside
Chemical Info
| 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/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
|---|---|
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| InChI Key | IKGXIBQEEMLURG-NVPNHPEKSA-N |
| Molecular Formula | C27H30O16 |
| Exact Mass | 610.521 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 61e2b054-7375-4344-9a00-8f138069b60b |
| Package id | msbnk-riken-pr302694 |
| Resource type | HTML |
| State | active |