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Deoxynivalenol-3-glucoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000369

Dataset description:

This MassBank record with Accession MSBNK-AAFC-AC000369 contains the MS2 mass spectrum of Deoxynivalenol-3-glucoside with the InChIkey PUMXWMGECQIOGB-SMSDQXDJSA-N.

Source: Deoxynivalenol-3-glucoside

Chemical Info

molecular Image

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
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
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	4034c8ca-3258-4e3f-9cee-69c20a8978b5
Package id	msbnk-aafc-ac000369
Resource type	HTML
State	active