Go to resource

Deoxynivalenol-3-glucoside

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000367

Dataset description:

This MassBank record with Accession MSBNK-AAFC-AC000367 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

There are no views created for this resource yet.

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	e00494fd-5755-43c1-a68c-338c0a73b42d
Package id	msbnk-aafc-ac000367
Resource type	HTML
State	active