Afzelin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00766
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00766 contains the MS2 mass spectrum of Afzelin with the InChIkey SOSLMHZOJATCCP-AEIZVZFYSA-N.
Source: Afzelin
Chemical Info
| InChI | InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1 |
|---|---|
| SMILES | Oc(c4)ccc(c4)C(O1)=C(OC(O3)C(O)C(O)C(O)C(C)3)C(=O)c(c(O)2)c(cc(O)c2)1 |
| InChI Key | SOSLMHZOJATCCP-AEIZVZFYSA-N |
| Molecular Formula | C21H20O10 |
| Exact Mass | 432.106 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 4.0 International (CC BY-NC 4.0) |
| Id | cc8d9ea6-0d58-4b2a-957b-4c41b36b848b |
| Package id | msbnk-fiocruz-fio00766 |
| Resource type | HTML |
| State | active |