Ergocorninine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000294
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000294 contains the MS2 mass spectrum of Ergocorninine with the InChIkey UJYGDMFEEDNVBF-OGGGUQDZSA-N.
Source: Ergocorninine
Chemical Info
| InChI | InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
| InChI Key | UJYGDMFEEDNVBF-OGGGUQDZSA-N |
| Molecular Formula | C31H39N5O5 |
| Exact Mass | 561.295 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 8455977d-1103-4fa9-800f-5af31f924e22 |
| Package id | msbnk-aafc-ac000294 |
| Resource type | HTML |
| State | active |