3-Acetyldeoxynivalenol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000386
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000386 contains the MS2 mass spectrum of 3-Acetyldeoxynivalenol with the InChIkey ADFIQZBYNGPCGY-HTJQZXIKSA-N.
Source: 3-Acetyldeoxynivalenol
Chemical Info
| InChI | InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO |
| InChI Key | ADFIQZBYNGPCGY-HTJQZXIKSA-N |
| Molecular Formula | C17H22O7 |
| Exact Mass | 338.137 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 | 98575398-c747-4d34-a177-22a5b7f21c16 |
| Package id | msbnk-aafc-ac000386 |
| Resource type | HTML |
| State | active |