Roquefortine D
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000808
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000808 contains the MS2 mass spectrum of Roquefortine D with the InChIkey IQVNREJWRXOHEO-UHFFFAOYSA-N.
Source: Roquefortine D
Chemical Info
| InChI | InChI=1S/C22H25N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-8,11-12,16-17,20,26H,1,9-10H2,2-3H3,(H,23,24)(H,25,28) |
|---|---|
| SMILES | CC(C)(C=C)C12CC3C(=O)NC(C(=O)N3C1NC4=CC=CC=C24)CC5=CN=CN5 |
| InChI Key | IQVNREJWRXOHEO-UHFFFAOYSA-N |
| Molecular Formula | C22H25N5O2 |
| Exact Mass | 391.201 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 | 32a81426-b9c6-48c5-a633-c9bcdeee7967 |
| Package id | msbnk-aafc-ac000808 |
| Resource type | HTML |
| State | active |