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CHEBI:227740 - 12,13-Deoxytrichodermadiene

ChEBI IDCHEBI:227740
ChEBI Name12,13-Deoxytrichodermadiene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O4
Net Charge0
Average Mass370.489
Monoisotopic Mass370.21441
SMILESC=C1[C@H]2C[C@@H](OC(=O)/C=C\C=C\[C@H]3O[C@@H]3C)[C@]1(C)[C@@]1(C)CCC(C)=C[C@H]1O2
InChIInChI=1S/C23H30O4/c1-14-10-11-22(4)19(12-14)26-18-13-20(23(22,5)15(18)2)27-21(24)9-7-6-8-17-16(3)25-17/h6-9,12,16-20H,2,10-11,13H2,1,3-5H3/b8-6+,9-7-/t16-,17-,18-,19-,20-,22+,23-/m1/s1
InChIKeyXGEYKPJYISPKED-YSLZVJMJSA-N
Species of MetaboliteComponentSourceComments
Albifimbria verrucaria (ncbitaxon:1859699) - DOI (10.1021/jo00163a031)
ChEBI Ontology
Outgoing Relation(s)
12,13-Deoxytrichodermadiene (CHEBI:227740) 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] (2Z,4E)-5-[(2R,3R)-3-methyloxiran-2-yl]penta-2,4-dienoate
Manual XrefsDatabases
78440332ChemSpider