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CHEBI:205668 - 12-deoxytrichodermin

ChEBI IDCHEBI:205668
ChEBI Name12-deoxytrichodermin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O3
Net Charge0
Average Mass276.376
Monoisotopic Mass276.17254
SMILESC=C1[C@H]2C[C@@H](OC(C)=O)[C@]1(C)[C@@]1(C)CCC(C)=C[C@H]1O2
InChIInChI=1S/C17H24O3/c1-10-6-7-16(4)14(8-10)20-13-9-15(19-12(3)18)17(16,5)11(13)2/h8,13-15H,2,6-7,9H2,1,3-5H3/t13-,14-,15-,16+,17-/m1/s1
InChIKeyBGSANDMRZPCQBG-OVYGPGRDSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies 1212-03 (ncbitaxon:1421414) - PubMed (30797671)
ChEBI Ontology
Outgoing Relation(s)
12-deoxytrichodermin (CHEBI:205668) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1S,2R,7R,9R,11R)-1,2,5-trimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-11-yl] acetate
Manual XrefsDatabases
103704583ChemSpider