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vomitoxin

  • Formula: C15H20O6

  • Molecular weight: 296.31

  • Smiles: CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO

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vomitoxin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: vomitoxin

  • First synonym: None

  • Synonyms: DEOXYNIVALENOL,51481-10-8,Vomitoxin,Dehydronivalenol,4-Deoxynivalenol,4-Desoxynivalenol,Desoxynivalenol,CCRIS 7801,Rd toxin,NSC 269144,HSDB 7245,UNII-JT37HYP23V,JT37HYP23V,12,13-Epoxy-3-alpha,7-alpha,15-trihydroxy-9-trichothecen-8-one,DEOXYNIVALENOL [HSDB],CHEBI:10022,3alpha,7alpha,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one,Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3a,7a)-,3-epi-deoxynivalenol,NSC-269144,Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3-alpha,7-alpha)-,(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one,(3beta,7alpha)-3,7,15-Trihydroxy-12,13-Epoxytrichothec-9-En-8-One,(3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one,Deoxynivalenol 100 microg/mL in Acetonitrile,3-epi-DON,4Deoxynivalenol,12,13-Epoxy-3.alpha.,7.alpha.,15-trihydroxy-9-trichothecen-8-one,4Desoxynivalenol,Spiro(2,5-methano-1-benzoxepin-10,2'-oxirane), trichothec-9-en-8-one deriv.,Spiro[2,5-methano-1-benzoxepin-10,2'-oxirane], trichothec-9-en-8-one deriv.,(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4-one,3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.02,7)dodecan)-5'-en-4'-one,3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-4'-one,MFCD09039270,DEOXYNIVALENOL?,VOMITOXIN [MI],CHEMBL513300,SCHEMBL2694361,12,13-Epoxy-3,7,15-trihydroxytrichothec-9-en-8-one,DTXSID3020382,Deoxynivalenol, reference material,Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3.alpha.,7.alpha.)-,Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3alpha,7alpha)-,EX-A5479,HY-N6684,Deoxynivalenol Quality Control Sample,AKOS024457908,1ST7213,20 - Fusarium mycotoxins in maize oil,CS-W012154,1ST7213-100A,AC-35348,AS-75858,DA-62777,NS00000120,Q420518,12,13Epoxy3alpha,7alpha,15trihydroxy9trichothecen8one,3a,7a,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-one,Deoxynivalenol(DON) Solution in Acetonitrile, 100ug/mL,12,13-Epoxy-3alpha,7alpha,15-trihydroxy-9-trichothecen-8-one,From maize, 2.24 ppm ( inverted exclamation markA 0.1 ppm),3 alpha,7 alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one,3.ALPHA.,7.ALPHA.,15-TRIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE,4-Deoxynivalenol in acetonitrile, IRMM(R) certified Reference Material,Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-(3alpha,7alpha)-,12,13-EPOXY-3-.ALPHA.,7-.ALPHA.,15-TRIHYDROXY-9-TRICHOTHECEN-8- ONE,12,13-EPOXY-3-.ALPHA.,7-.ALPHA.,15-TRIHYDROXY-9-TRICHOTHECEN-8-ONE,Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (2?,3?,6?,7?,11?,12?)-,TRICHOTHEC-9-EN-8-ONE, 12,13-EPOXY-3,7,15-TRIHYDROXY-, (3-.ALPHA.,7-.ALPHA.)-,(1'R,2S,2'R,3'S,7'R,9'R,10'R)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0?,?]dodecan]-5'-en-4'-one,(2S,2'R,3'R,5'R,5a'R,6'S,9a'R)-3',6'-dihydroxy-5a'-(hydroxymethyl)-5',8'-dimethyl-2',3',4',5',5a',9a'-hexahydrospiro[oxirane-2,10'-[2,5]methanobenzo[b]oxepin]-7'(6'H)-one,3J6,TRICHOTHEC-9-EN-8-ONE, 12,13-EPOXY-3,7,15-TRIHYDROXY-, (3- .ALPHA.,7-.ALPHA.)-

Identifiers / External links

Structure

  • Smiles: CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO

  • Isomeric smiles: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO

  • Inchi: InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1

  • Inchikey: LINOMUASTDIRTM-QGRHZQQGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H20O6

  • Molecular weight: 296.31

  • Monoisotopic mass: 296.12598835

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