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CHEBI:175886 - 4,8-Diacetyl-T2-tetrol

ChEBI IDCHEBI:175886
ChEBI Name4,8-Diacetyl-T2-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O8
Net Charge0
Average Mass382.409
Monoisotopic Mass382.16277
SMILESCC(=O)OC1CC2(CO)C(C=C1C)OC1C(O)C(OC(C)=O)C2(C)C12CO2
InChIInChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3
InChIKeyUROCTWOJYLMRHO-UHFFFAOYSA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
4,8-Diacetyl-T2-tetrol (CHEBI:175886) is a trichothecene (CHEBI:55517)
IUPAC Name 
[11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate
Manual XrefsDatabases
8198344ChemSpider
HMDB0035201HMDB