CHEBI:75999 - (S)-laudanine(1+)

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ChEBI Name (S)-laudanine(1+) ChEBI ID CHEBI:75999 ChEBI ASCII Name (S)-laudanine(1+) Definition The (S)-enantiomer of laudanine(1+). Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H26NO4 Net Charge +1 Average Mass 344.42470 Monoisotopic Mass 344.18563 InChI InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/p+1/t16-/m0/s1 InChIKey MPYHGNAJOKCMAQ-INIZCTEOSA-O SMILES COc1ccc(C[C@@H]2[NH+](C)CCc3cc(OC)c(OC)cc23)cc1O ChEBI Ontology Outgoing (S)-laudanine(1+) (CHEBI:75999) is a laudanine(1+) (CHEBI:76102) (S)-laudanine(1+) (CHEBI:75999) is conjugate acid of (S)-laudanine (CHEBI:76101) (S)-laudanine(1+) (CHEBI:75999) is enantiomer of (R)-laudanine(1+) (CHEBI:76001) Incoming (S)-laudanine (CHEBI:76101) is conjugate base of (S)-laudanine(1+) (CHEBI:75999) (R)-laudanine(1+) (CHEBI:76001) is enantiomer of (S)-laudanine(1+) (CHEBI:75999) IUPAC Name (1S)-1-(3-hydroxy-4-methoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium Synonym Source (S)-laudanine UniProt Manual Xref Database CPD-8924 MetaCyc View more database links Citation Type Source 15353584 PubMed citation SUBMITTER Last Modified 28 October 2013