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CHEBI:68901 - rac-N-methyllaudanosolinium trifluoroacetate

Default Structure
ChEBI IDCHEBI:68901
ChEBI Namerac-N-methyllaudanosolinium trifluoroacetate
Stars
DefinitionA natural product found in Gnetum montanum.
DownloadsMolfile
FormulaC18H22NO4.C2F3O2
Net Charge0
Average Mass429.391
Monoisotopic Mass429.13992
SMILESC[N+]1(C)CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1.O=C([O-])C(F)(F)F
InChIInChI=1S/C18H21NO4.C2HF3O2/c1-19(2)6-5-12-9-17(22)18(23)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11;3-2(4,5)1(6)7/h3-4,8-10,14H,5-7H2,1-2H3,(H3-,20,21,22,23);(H,6,7)
InChIKeyOIIROEYPLKNEAS-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-N-methyllaudanosolinium trifluoroacetate (CHEBI:68901) has role metabolite (CHEBI:25212)
rac-N-methyllaudanosolinium trifluoroacetate (CHEBI:68901) is a organic molecular entity (CHEBI:50860)
Synonym  Source
rac-1-(3,4-Dihydroxybenzyl)-6,7-dihydroxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium trifluoroacetateChEBI
Citations