Glandicoline B
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000777
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000777 contains the MS2 mass spectrum of Glandicoline B with the InChIkey YEVSOYBNHBOQJZ-UNPMEJEESA-N.
Source: Glandicoline B
Chemical Info
| InChI | InChI=1S/C22H21N5O4/c1-4-20(2,3)21-10-17(28)19(30)26-16(9-13-11-23-12-24-13)18(29)25-22(21,26)27(31)15-8-6-5-7-14(15)21/h4-12,28,31H,1H2,2-3H3,(H,23,24)(H,25,29)/b16-9+/t21-,22-/m0/s1 |
|---|---|
| SMILES | C=CC(C)(C)[C@]12C=C(C(=O)N3/C(=C/c4cnc[nH]4)/C(=N[C@@]23N(c2ccccc12)O)O)O |
| InChI Key | YEVSOYBNHBOQJZ-UNPMEJEESA-N |
| Molecular Formula | C22H21N5O4 |
| Exact Mass | 419.159 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 | 4b0305ac-c798-4a6d-9a2f-0011d297ae28 |
| Package id | msbnk-aafc-ac000777 |
| Resource type | HTML |
| State | active |