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CHEBI:7599 - Nivalenol

ChEBI IDCHEBI:7599
ChEBI NameNivalenol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20O7
Net Charge0
Average Mass312.318
Monoisotopic Mass312.12090
SMILES[H][C@@]12C=C(C)C(=O)[C@@H](O)[C@]1(CO)[C@@]1(C)[C@H](O)[C@@H](O)[C@@]([H])(O2)[C@]12CO2
InChIInChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15-/m1/s1
InChIKeyUKOTXHQERFPCBU-YQPARWETSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Nivalenol (CHEBI:7599) is a trichothecene (CHEBI:55517)
Synonym  Source
NivalenolKEGG COMPOUND
Manual XrefsDatabases
C06080KEGG COMPOUND
C00003167KNApSAcK
HMDB0004304HMDB
Registry NumbersSources
CAS:23282-20-4KEGG COMPOUND