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CHEBI:200050 - Trichothecinol C

ChEBI IDCHEBI:200050
ChEBI NameTrichothecinol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O6
Net Charge0
Average Mass350.411
Monoisotopic Mass350.17294
SMILESC/C=C\C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@]3(C)[C@]1(C)[C@]21CO1
InChIInChI=1S/C19H26O6/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/h5-7,11-12,14-16,20,22H,8-9H2,1-4H3/b6-5-/t11-,12+,14+,15+,16+,17-,18+,19-/m0/s1
InChIKeyDPHSCJIDHMQVIC-BPFGYNMTSA-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 C (CHEBI:200050) is a trichothecene (CHEBI:55517)
IUPAC Name 
[(1S,2R,4S,7R,9R,10R,11S,12S)-4,10-dihydroxy-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (Z)-but-2-enoate
Manual XrefsDatabases
8173583ChemSpider