Isomajdine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300588
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300588 contains the MS2 mass spectrum of Isomajdine with the InChIkey TTZWEOINXHJHCY-UHJVZONPSA-N.
Source: Isomajdine
Chemical Info
| InChI | InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27)/t12-,13-,14-,18-,23+/m0/s1 |
|---|---|
| SMILES | COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(O)=NC1=C4C=CC(OC)=C1OC |
| InChI Key | TTZWEOINXHJHCY-UHJVZONPSA-N |
| Molecular Formula | C23H28N2O6 |
| Exact Mass | 428.485 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 | 153dcf43-76b6-4875-a8f0-44975178d24f |
| Package id | msbnk-riken-pr300588 |
| Resource type | HTML |
| State | active |