Go to resource

Deoxynivalenol 3-glucuronide

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000887

Dataset description:

This MassBank record with Accession MSBNK-AAFC-AC000887 contains the MS2 mass spectrum of Deoxynivalenol 3-glucuronide with the InChIkey GRFAWUZMBBQEMX-IJNZYEPRSA-N.

Source: Deoxynivalenol 3-glucuronide

Chemical Info

molecular Image

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

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	f445f1ee-e1a4-44cb-8181-80cbfba892bd
Package id	msbnk-aafc-ac000887
Resource type	HTML
State	active