Aspalathin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003545
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003545 contains the MS2 mass spectrum of Aspalathin with the InChIkey VCPUQYKWJRESOC-VJXVFPJBSA-N.
Source: Aspalathin
Chemical Info
| InChI | InChI=1S/C21H24O11/c22-7-14-17(28)19(30)20(31)21(32-14)16-13(27)6-12(26)15(18(16)29)10(24)4-2-8-1-3-9(23)11(25)5-8/h1,3,5-6,14,17,19-23,25-31H,2,4,7H2/t14-,17-,19+,20-,21+/m1/s1 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1C(C(C(=O)C2=C(C(=C(C(=C2O[H])[H])O[H])C3(C(C(C(C(O3)(C(O[H])([H])[H])[H])(O[H])[H])(O[H])[H])(O[H])[H])[H])O[H])([H])[H])([H])[H])[H])O[H])O[H])[H])[H] |
| InChI Key | VCPUQYKWJRESOC-VJXVFPJBSA-N |
| Molecular Formula | C21H24O11 |
| Exact Mass | 452.132 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 | b0d4948c-bd32-4194-a821-0b5d0e3a3c30 |
| Package id | msbnk-bs-bs003545 |
| Resource type | HTML |
| State | active |