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

Default Structure
ChEBI IDCHEBI:75999
ChEBI Name(S)-laudanine(1+)
Stars
ASCII Name(S)-laudanine(1+)
DefinitionThe (S)-enantiomer of laudanine(1+).
Last Modified28 October 2013
SubmitterKAX
DownloadsMolfile
FormulaC20H26NO4
Net Charge+1
Average Mass344.431
Monoisotopic Mass344.18563
SMILESCOc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1O
InChIInChI=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
InChIKeyMPYHGNAJOKCMAQ-INIZCTEOSA-O
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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
UniProt Name  Source
(S)-laudanineUniProt
Manual XrefsDatabases
CPD-8924MetaCyc
Citations