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CHEBI:201481 - Standard Solution Nivalenol

ChEBI IDCHEBI:201481
ChEBI NameStandard Solution Nivalenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O7
Net Charge0
Average Mass312.318
Monoisotopic Mass312.12090
SMILESCC1=CC2OC3C(O)C(O)C(C)(C34CO4)C2(CO)C(O)C1=O
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
InChIKeyUKOTXHQERFPCBU-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Standard Solution Nivalenol (CHEBI:201481) is a trichothecene (CHEBI:55517)
IUPAC Name 
(1S,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
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29515ChemSpider