Deoxynivalenol 3-glucuronide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000883
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000883 contains the MS2 mass spectrum of Deoxynivalenol 3-glucuronide with the InChIkey GRFAWUZMBBQEMX-IJNZYEPRSA-N.
Source: Deoxynivalenol 3-glucuronide
Chemical Info
| InChI | InChI=1S/C21H28O12/c1-7-3-9-20(5-22,15(27)10(7)23)19(2)4-8(16(32-9)21(19)6-30-21)31-18-13(26)11(24)12(25)14(33-18)17(28)29/h3,8-9,11-16,18,22,24-27H,4-6H2,1-2H3,(H,28,29)/t8-,9-,11+,12+,13-,14+,15-,16-,18-,19-,20-,21+/m1/s1 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)CO |
| InChI Key | GRFAWUZMBBQEMX-IJNZYEPRSA-N |
| Molecular Formula | C21H28O12 |
| Exact Mass | 472.158 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 | aa3c6141-eb56-40a8-b13d-4ba4478d7eb2 |
| Package id | msbnk-aafc-ac000883 |
| Resource type | HTML |
| State | active |