Deoxynivalenol-3-glucoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000364
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000364 contains the MS2 mass spectrum of Deoxynivalenol-3-glucoside with the InChIkey PUMXWMGECQIOGB-SMSDQXDJSA-N.
Source: Deoxynivalenol-3-glucoside
Chemical Info
InChI | InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1 |
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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)CO)O)O)O)C)CO |
InChI Key | PUMXWMGECQIOGB-SMSDQXDJSA-N |
Molecular Formula | C21H30O11 |
Exact Mass | 458.179 g/mol |
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Additional Information
Field | Value |
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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 | 50e74324-1c3e-4760-86d0-b57174e7dbbf |
Package id | msbnk-aafc-ac000364 |
Resource type | HTML |
State | active |