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CHEBI:235439 - deoxynivalenol glucoronide

ChEBI IDCHEBI:235439
ChEBI Namedeoxynivalenol glucoronide
Stars
Submitterjhunter
DownloadsMolfile
FormulaC21H28O12
Net Charge0
Average Mass472.443
Monoisotopic Mass472.15808
SMILESCC1=C[C@H]2O[C@@H]3[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C[C@](C)([C@@]2(CO)[C@H](O)C1=O)[C@]31CO1
InChIInChI=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
InChIKeyGRFAWUZMBBQEMX-IJNZYEPRSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
deoxynivalenol glucoronide (CHEBI:235439) is a trichothecene (CHEBI:55517)