Bergenin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303542
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303542 contains the MS2 mass spectrum of Bergenin with the InChIkey YWJXCIXBAKGUKZ-HJJNZUOJSA-N.
Source: Bergenin
Chemical Info
| InChI | InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1 |
|---|---|
| SMILES | COC1=C(O)C=C2C(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3C2=C1O |
| InChI Key | YWJXCIXBAKGUKZ-HJJNZUOJSA-N |
| Molecular Formula | C14H16O9 |
| Exact Mass | 328.273 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 | c3aac86c-b11c-4cae-a79a-15ec8c34b4c2 |
| Package id | msbnk-riken-pr303542 |
| Resource type | HTML |
| State | active |