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CHEBI:175875 - 8-Oxodiacetoxyscirpenol

ChEBI IDCHEBI:175875
ChEBI Name8-Oxodiacetoxyscirpenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O8
Net Charge0
Average Mass380.393
Monoisotopic Mass380.14712
SMILES[H][C@@]12C=C(C)C(=O)C[C@@]1(COC(C)=O)[C@]1(C)[C@H](OC(C)=O)[C@H](O)[C@@]([H])(O2)[C@]12CO2
InChIInChI=1S/C19H24O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,13-16,23H,6-8H2,1-4H3/t13-,14+,15-,16-,17+,18+,19-/m1/s1
InChIKeyFAQMCKSIBZGZIB-DROQDYNESA-N
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
8-Oxodiacetoxyscirpenol (CHEBI:175875) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1R,2S,7R,9R,10S,11S,12R)-11-acetyloxy-10-hydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Manual XrefsDatabases
67026086ChemSpider