CHEBI:177657 - 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
ChEBI ID CHEBI:177657
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24O7
Net Charge 0
Average Mass 340.372
Monoisotopic Mass 340.15220
InChI InChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17?/m0/s1
InChIKey CSYVMZMEBKUDRQ-UETZSBHESA-N
SMILES O1C2([C@]3([C@@]4([C@](O[C@@]2([C@H](O)[C@H]3OC(=O)C)[H])(C=C([C@@H](O)C4)C)[H])CO)C)C1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate (CHEBI:177657) is a trichothecene (CHEBI:55517)
IUPAC Name
[(1S,2R,4S,7R,9R,10R,11S)-4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
Manual Xref Database
137724 ChemSpider
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