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CHEBI:223544 - Trichobreol C

ChEBI IDCHEBI:223544
ChEBI NameTrichobreol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O6
Net Charge0
Average Mass376.449
Monoisotopic Mass376.18859
SMILESCC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)/C=C\C=C\CO)[C@](C)([C@@]2(C)CC1)[C@]31CO1
InChIInChI=1S/C21H28O6/c1-13-8-9-19(2)14(11-13)26-18-16(24)17(20(19,3)21(18)12-25-21)27-15(23)7-5-4-6-10-22/h4-7,11,14,16-18,22,24H,8-10,12H2,1-3H3/b6-4+,7-5-/t14-,16-,17-,18-,19+,20-,21+/m1/s1
InChIKeyWCSOXZPHERGPAS-FVARLZJZSA-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 C (CHEBI:223544) 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)-6-hydroxyhexa-2,4-dienoate
Manual XrefsDatabases
95798019ChemSpider