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CHEBI:189480 - (3r,4r,6r)-n-allyl-6-{[4-(3-hydroxyphenyl)-1h-1,2,3-triazol-1-yl]methyl}-n-methylquinuclidine-3-carboxamide

ChEBI IDCHEBI:189480
ChEBI Name(3r,4r,6r)-n-allyl-6-{[4-(3-hydroxyphenyl)-1h-1,2,3-triazol-1-yl]methyl}-n-methylquinuclidine-3-carboxamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27N5O2
Net Charge0
Average Mass381.480
Monoisotopic Mass381.21648
SMILES[H][C@]12CCN(C[C@@H]1C(=O)N(C)CC=C)[C@@H](Cn1cc(-c3cccc(O)c3)nn1)C2
InChIInChI=1S/C21H27N5O2/c1-3-8-24(2)21(28)19-13-25-9-7-15(19)10-17(25)12-26-14-20(22-23-26)16-5-4-6-18(27)11-16/h3-6,11,14-15,17,19,27H,1,7-10,12-13H2,2H3/t15-,17-,19+/m1/s1
InChIKeyJJMFDTCEBJBJFZ-SUMDDJOVSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
(3r,4r,6r)-n-allyl-6-{[4-(3-hydroxyphenyl)-1h-1,2,3-triazol-1-yl]methyl}-n-methylquinuclidine-3-carboxamide (CHEBI:189480) is a triazoles (CHEBI:35727)
IUPAC Name 
(3R,4R,6R)-6-[[4-(3-hydroxyphenyl)triazol-1-yl]methyl]-N-methyl-N-prop-2-enyl-1-azabicyclo[2.2.2]octane-3-carboxamide
Manual XrefsDatabases
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