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CHEBI:194521 - (S)-cis-N-methyltetrahydrothalifendine

ChEBI IDCHEBI:194521
ChEBI Name(S)-cis-N-methyltetrahydrothalifendine
Stars
ASCII Name(S)-cis-N-methyltetrahydrothalifendine
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H22NO4
Net Charge+1
Average Mass340.399
Monoisotopic Mass340.15433
SMILES[H][C@@]12Cc3ccc(O)c(OC)c3C[N@+]1(C)CCc1cc3c(cc12)OCO3
InChIInChI=1S/C20H21NO4/c1-21-6-5-13-8-18-19(25-11-24-18)9-14(13)16(21)7-12-3-4-17(22)20(23-2)15(12)10-21/h3-4,8-9,16H,5-7,10-11H2,1-2H3/p+1/t16-,21-/m0/s1
InChIKeyUTUGYZCGZXJEHE-KKSFZXQISA-O
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)
(S)-cis-N-methyltetrahydrothalifendine (CHEBI:194521) is a an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine (CHEBI:194529)
(S)-cis-N-methyltetrahydrothalifendine (CHEBI:194521) is a organic heteropentacyclic compound (CHEBI:38164)
(S)-cis-N-methyltetrahydrothalifendine (CHEBI:194521) is a quaternary ammonium ion (CHEBI:35267)
UniProt Name  Source
(S)-cis-N-methyltetrahydrothalifendineUniProt
Manual XrefsDatabases
C00026151KNApSAcK