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Deoxynivalenol 3-glucuronide

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000886

Dataset description:

This MassBank record with Accession MSBNK-AAFC-AC000886 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

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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	e8c5f50e-7cc1-4385-8604-38db2171c565
Package id	msbnk-aafc-ac000886
Resource type	HTML
State	active