Isosakuranin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003629
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003629 contains the MS2 mass spectrum of Isosakuranin with the InChIkey KEEWIHDTSNESJZ-ZJHVPRRPSA-N.
Source: Isosakuranin
Chemical Info
| InChI | InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChI Key | KEEWIHDTSNESJZ-ZJHVPRRPSA-N |
| Molecular Formula | C22H24O10 |
| Exact Mass | 448.137 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | unknown |
| Metadata last updated | January 11, 2024 |
| Created | unknown |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Created | 4 months ago |
| Id | 8a958f08-8836-4d9c-8b8e-8915e8177a7b |
| Package id | msbnk-bs-bs003629 |
| Resource type | HTML |
| State | active |