Gelsenicine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300031
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300031 contains the MS2 mass spectrum of Gelsenicine with the InChIkey BIGABVPVCRHEES-NWPJSNQLSA-N.
Source: Gelsenicine
Chemical Info
| InChI | InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11-,12+,15+,17-,19+/m1/s1 |
|---|---|
| SMILES | CCC1=N[C@H]2C[C@]3([C@H]4C[C@@H]1[C@@H]2CO4)C(=O)N(OC)C1=CC=CC=C31 |
| InChI Key | BIGABVPVCRHEES-NWPJSNQLSA-N |
| Molecular Formula | C19H22N2O3 |
| Exact Mass | 326.396 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 | fd1c7c33-f86e-4734-9a32-be4af07e34d3 |
| Package id | msbnk-riken-pr300031 |
| Resource type | HTML |
| State | active |