Mesaconitine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310651
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR310651 contains the MS2 mass spectrum of Mesaconitine with the InChIkey XUHJBXVYNBQQBD-UHFFFAOYSA-N.
Source: Mesaconitine
Chemical Info
| InChI | InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3 |
|---|---|
| SMILES | COCC12CN(C)C3C4C(OC)C1C3(C1CC3(O)C(OC(=O)C5=CC=CC=C5)C1C4(OC(C)=O)C(O)C3OC)C(CC2O)OC |
| InChI Key | XUHJBXVYNBQQBD-UHFFFAOYSA-N |
| Molecular Formula | C33H45NO11 |
| Exact Mass | 631.719 g/mol |
There are no views created for this resource yet.
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 | 7536b335-e9ec-4ea0-bc5d-5d1e91bc25f2 |
| Package id | msbnk-riken-pr310651 |
| Resource type | HTML |
| State | active |