Gentiopicroside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303520
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303520 contains the MS2 mass spectrum of Gentiopicroside with the InChIkey DUAGQYUORDTXOR-GPQRQXLASA-N.
Source: Gentiopicroside
Chemical Info
| InChI | InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1 |
|---|---|
| SMILES | OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC=C3[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI Key | DUAGQYUORDTXOR-GPQRQXLASA-N |
| Molecular Formula | C16H20O9 |
| Exact Mass | 356.327 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 | bf99b104-8459-4783-9044-13147cb5c237 |
| Package id | msbnk-riken-pr303520 |
| Resource type | HTML |
| State | active |