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

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ChEBI Name rac-3'-hydroxy-N,N-dimethylcoclaurinium trifluoroacetate
ChEBI ID CHEBI:68902
Definition A natural product found in Gnetum montanum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H24F3NO6
Net Charge 0
Average Mass 443.41360
Monoisotopic Mass 443.15557
InChI InChI=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)
InChIKey LJXVHGCCIANZFC-UHFFFAOYSA-N
SMILES [O-]C(=O)C(F)(F)F.COc1cc2CC[N+](C)(C)C(Cc3ccc(O)c(O)c3)c2cc1O
Metabolite of Species Details
Gnetum montanum (NCBI:txid3381) Found in leaf (BTO:0000713). Organic extract of air-dried and ground leaves See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
22040053 PubMed citation Europe PMC