EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:149442 - DON-sulfonate 2

ChEBI IDCHEBI:149442
ChEBI NameDON-sulfonate 2
Stars
Submittermwilliams
DownloadsMolfile
FormulaC15H22O9S
Net Charge0
Average Mass378.399
Monoisotopic Mass378.09845
SMILES[H][C@@]12O[C@]3([H])[C@@H](S(=O)(=O)O)[C@H](C)[C@]4(O)OC[C@@]3([C@@H]4O)[C@@](C)(C[C@H]1O)[C@]21CO1
InChIInChI=1S/C15H22O9S/c1-6-8(25(19,20)21)10-13(4-23-15(6,18)11(13)17)12(2)3-7(16)9(24-10)14(12)5-22-14/h6-11,16-18H,3-5H2,1-2H3,(H,19,20,21)/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+/m0/s1
InChIKeyBGXMVFAWWHFYNG-LOECZKIJSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (23964860)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
DON-sulfonate 2 (CHEBI:149442) has functional parent deoxynivalenol (CHEBI:10022)
DON-sulfonate 2 (CHEBI:149442) is a trichothecene (CHEBI:55517)
Synonym  Source
deoxynivalenol sulfonate 2SUBMITTER