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CHEBI:68902 - rac-3'-hydroxy-N,N-dimethylcoclaurinium trifluoroacetate

Default Structure
ChEBI IDCHEBI:68902
ChEBI Namerac-3'-hydroxy-N,N-dimethylcoclaurinium trifluoroacetate
Stars
DefinitionA natural product found in Gnetum montanum.
DownloadsMolfile
FormulaC19H24NO4.C2F3O2
Net Charge0
Average Mass443.418
Monoisotopic Mass443.15557
SMILESCOc1cc2c(cc1O)C(Cc1ccc(O)c(O)c1)[N+](C)(C)CC2.O=C([O-])C(F)(F)F
InChIInChI=1S/C19H23NO4.C2HF3O2/c1-20(2)7-6-13-10-19(24-3)18(23)11-14(13)15(20)8-12-4-5-16(21)17(22)9-12;3-2(4,5)1(6)7/h4-5,9-11,15H,6-8H2,1-3H3,(H2-,21,22,23);(H,6,7)
InChIKeyLJXVHGCCIANZFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Gnetum montanum (ncbitaxon:3381) leaf (BTO:0000713) PubMed (22040053) Organic extract of air-dried and ground leaves
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
rac-3'-hydroxy-N,N-dimethylcoclaurinium trifluoroacetate (CHEBI:68902) has role metabolite (CHEBI:25212)
rac-3'-hydroxy-N,N-dimethylcoclaurinium trifluoroacetate (CHEBI:68902) is a organic molecular entity (CHEBI:50860)
Citations