Emetine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300448
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300448 contains the MS2 mass spectrum of Emetine with the InChIkey AUVVAXYIELKVAI-CKBKHPSWSA-N.
Source: Emetine
Chemical Info
| InChI | InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1 |
|---|---|
| SMILES | CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12 |
| InChI Key | AUVVAXYIELKVAI-CKBKHPSWSA-N |
| Molecular Formula | C29H40N2O4 |
| Exact Mass | 480.649 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 | 16f28c06-6073-49fc-ae9c-f89d88e128dd |
| Package id | msbnk-riken-pr300448 |
| Resource type | HTML |
| State | active |