Hirsuteine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300197
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300197 contains the MS2 mass spectrum of Hirsuteine with the InChIkey TZUGIFAYWNNSAO-AZQGJTAVSA-N.
Source: Hirsuteine
Chemical Info
| InChI | InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20+/m0/s1 |
|---|---|
| SMILES | CO\C=C(/[C@H]1C[C@H]2N(CCC3=C2NC2=CC=CC=C32)C[C@@H]1C=C)C(=O)OC |
| InChI Key | TZUGIFAYWNNSAO-AZQGJTAVSA-N |
| Molecular Formula | C22H26N2O3 |
| Exact Mass | 366.461 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 | 65daea28-f529-4b78-b645-c8105c3356fb |
| Package id | msbnk-riken-pr300197 |
| Resource type | HTML |
| State | active |