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CHEBI:200570 - Trichothecinol A

ChEBI IDCHEBI:200570
ChEBI NameTrichothecinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O6
Net Charge0
Average Mass348.395
Monoisotopic Mass348.15729
SMILESC/C=C\C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)C[C@]3(C)[C@]1(C)[C@]21CO1
InChIInChI=1S/C19H24O6/c1-5-6-13(21)25-15-14(22)16-19(9-23-19)18(15,4)17(3)8-11(20)10(2)7-12(17)24-16/h5-7,12,14-16,22H,8-9H2,1-4H3/b6-5-/t12-,14-,15-,16-,17+,18-,19+/m1/s1
InChIKeyRVOJMELIZZNGBE-DUGZWPNFSA-N
Species of MetaboliteComponentSourceComments
Trichothecium roseum (ncbitaxon:47278) - DOI (10.1016/s0040-4039(96)02187-9)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Trichothecinol A (CHEBI:200570) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,10R,11S,12S)-10-hydroxy-1,2,5-trimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate
Manual XrefsDatabases
8648340ChemSpider