Hydroxy-roquefortine C
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000782
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000782 contains the MS2 mass spectrum of Hydroxy-roquefortine C with the InChIkey NNCYWYKIMLRIRQ-OQLLNIDSSA-N.
Source: Hydroxy-roquefortine C
Chemical Info
| InChI | InChI=1S/C22H23N5O3/c1-4-21(2,3)22-10-17-18(28)25-15(9-13-11-23-12-24-13)19(29)26(17)20(22)27(30)16-8-6-5-7-14(16)22/h4-9,11-12,17,20,30H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b15-9+ |
|---|---|
| SMILES | CC(C)(C=C)C12CC3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3C1N(C5=CC=CC=C25)O |
| InChI Key | NNCYWYKIMLRIRQ-OQLLNIDSSA-N |
| Molecular Formula | C22H23N5O3 |
| Exact Mass | 405.180 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 | d5bcd71a-ac86-4099-8bf8-6a6992244194 |
| Package id | msbnk-aafc-ac000782 |
| Resource type | HTML |
| State | active |