Quercetin-3-O-vicianoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302355
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR302355 contains the MS2 mass spectrum of Quercetin-3-O-vicianoside with the InChIkey YNMFDPCLPIMRFD-KSPKLRDJSA-N.
Source: Quercetin-3-O-vicianoside
Chemical Info
| InChI | InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1 |
|---|---|
| SMILES | O[C@H]1CO[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]1O |
| InChI Key | YNMFDPCLPIMRFD-KSPKLRDJSA-N |
| Molecular Formula | C26H28O16 |
| Exact Mass | 596.494 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 | 856e5c1c-4916-4df2-b6c7-e5bcc8feef39 |
| Package id | msbnk-riken-pr302355 |
| Resource type | HTML |
| State | active |