Senecionine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00238
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00238 contains the MS2 mass spectrum of Senecionine with the InChIkey HKODIGSRFALUTA-JTLQZVBZSA-N.
Source: Senecionine
Chemical Info
| InChI | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1 |
|---|---|
| SMILES | CC=C(C3)C(=O)O[C@H](C1)[C@@]([H])(C(COC(=O)[C@](C)(O)[C@H](C)3)=2)N(CC2)C1 |
| InChI Key | HKODIGSRFALUTA-JTLQZVBZSA-N |
| Molecular Formula | C18H25NO5 |
| Exact Mass | 335.173 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 | c3d14db4-ecfd-4eef-9823-abcb29bff79d |
| Package id | msbnk-fiocruz-fio00238 |
| Resource type | HTML |
| State | active |