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(S)-tembetarine

Properties

Image

Occurences in reactions

MNX_ID

MNXM163070

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₀H₂₆NO₄

charge

mass

344.18563

reference

InChIKey

ABSDACFLIMOXJY-INIZCTEOSA-O

InChI

InChI=1S/C20H25NO4/c1-21(2)8-7-14-11-20(25-4)18(23)12-15(14)16(21)9-13-5-6-19(24-3)17(22)10-13/h5-6,10-12,16H,7-9H2,1-4H3,(H-,22,23)/p+1/t16-/m0/s1

SMILES

COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N+]2(C)C)cc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:134199 chebi:134199	(S)-tembetarine (+)-Tembetarine (S)-(+)-tembetarine Tembetarine
seed.compound:cpd32766 seedM:cpd32766	(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-ol (S)-tembetarine
kegg.compound:C21491 keggC:C21491	(S)-Tembetarine
metacyc.compound:CPD-19771 metacycM:CPD-19771	(S)-tembetarine (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
keggC:M_C21491 seedM:M_cpd32766	secondary/obsolete/fantasy identifier