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CHEBI:223559 - Trichobreol A

ChEBI IDCHEBI:223559
ChEBI NameTrichobreol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESC/C=C/C=C\C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@]21CO1
InChIInChI=1S/C21H28O5/c1-5-6-7-8-15(22)26-17-16(23)18-21(12-24-21)20(17,4)19(3)10-9-13(2)11-14(19)25-18/h5-8,11,14,16-18,23H,9-10,12H2,1-4H3/b6-5+,8-7-/t14-,16-,17-,18-,19+,20-,21+/m1/s1
InChIKeyYRCPHUNUQHFSFA-OZNLUGLBSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (32427947)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Trichobreol A (CHEBI:223559) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,7R,9R,10R,11S,12S)-10-hydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E)-hexa-2,4-dienoate
Manual XrefsDatabases
95798017ChemSpider