Roquefortine H
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000813
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000813 contains the MS2 mass spectrum of Roquefortine H with the InChIkey IOMOQUZQAXSJJI-MOLGQSPVSA-N.
Source: Roquefortine H
Chemical Info
| InChI | InChI=1S/C28H33N5O3/c1-7-26(3,4)28-14-22-23(35)30-21(12-18-15-32(16-29-18)27(5,6)13-17(2)34)24(36)33(22)25(28)31-20-11-9-8-10-19(20)28/h7-12,15-16,22,25,31H,1,13-14H2,2-6H3,(H,30,35)/b21-12-/t22-,25+,28-/m1/s1 |
|---|---|
| SMILES | CC(=O)CC(C)(C)N1C=C(N=C1)/C=C\2/C(=O)N3[C@H](C[C@@]4([C@H]3NC5=CC=CC=C54)C(C)(C)C=C)C(=O)N2 |
| InChI Key | IOMOQUZQAXSJJI-MOLGQSPVSA-N |
| Molecular Formula | C28H33N5O3 |
| Exact Mass | 487.258 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 | 79b88305-e410-4996-bb4b-b41b70739c63 |
| Package id | msbnk-aafc-ac000813 |
| Resource type | HTML |
| State | active |