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(S)-laudanine

PropertiesImage
MNX_IDMNXM728987 Image of MNXM728987
referencechebi:75999
formulaC20H26NO4
global charge1
mol weight344.431
InChIKeyMPYHGNAJOKCMAQ-INIZCTEOSA-O
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
SMILESCOC1=CC2=C(C=C1OC)[C@H](CC1=CC(O)=C(OC)C=C1)[NH+](C)CC2
MNX internals
InChI (mnx)InChI=1/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/t16-/m0/s1 Image of MNXM728987
SMILES (mnx)[CH3:1][N:21]1[CH2:8][CH2:7][C:14]2=[CH:11][C:19]([O:24][CH3:3])=[C:20]([O:25][CH3:4])[CH:12]=[C:15]2[C@@H:16]1[CH2:9][C:13]1=[CH:10][C:17]([OH:22])=[C:18]([O:23][CH3:2])[CH:6]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75999
chebi:75999
MPYHGNAJOKCMAQ-INIZCTEOSA-O 		(S)-laudanine
(1S)-1-(3-hydroxy-4-methoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium
(S)-laudanine(1+)

kegg.compound:C20712
keggC:C20712
MPYHGNAJOKCMAQ-INIZCTEOSA-N 		(S)-Laudanine
(+)-Laudanidine
5-[((1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol

metacyc.compound:CPD-8924
metacycM:CPD-8924
MPYHGNAJOKCMAQ-INIZCTEOSA-O 		(S)-laudanine

CHEBI:76101
chebi:76101
MPYHGNAJOKCMAQ-INIZCTEOSA-N 		(S)-laudanine
(+)-laudanine
5-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenol

seed.compound:cpd17712
seedM:cpd17712
MPYHGNAJOKCMAQ-INIZCTEOSA-O 		Laudanine
(+)-Laudanidine
(S)-Laudanine
(S)-codamine
(S)-laudanine
5-[((1S)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol
laudanine

keggC:M_C20712
seedM:M_cpd17712 		secondary/obsolete/fantasy identifier