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(S)-tetrahydropapaverine

PropertiesImage
MNX_IDMNXM147341 Image of MNXM147341
referencechebi:195219
formulaC20H26NO4
global charge1
mol weight344.431
InChIKeyYXWQTVWJNHKSCC-INIZCTEOSA-O
InChIInChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/p+1/t16-/m0/s1
SMILESCOC1=CC2=C(C=C1OC)[C@H](CC1=CC(OC)=C(OC)C=C1)[NH2+]CC2
MNX internals
InChI (mnx)InChI=1/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m0/s1 Image of MNXM147341
SMILES (mnx)[CH3:1][O:22][C:17]1=[C:18]([O:23][CH3:2])[CH:10]=[C:13]([CH2:9][C@H:16]2[C:15]3=[CH:12][C:20]([O:25][CH3:4])=[C:19]([O:24][CH3:3])[CH:11]=[C:14]3[CH2:7][CH2:8][NH:21]2)[CH:5]=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:195219
chebi:195219
YXWQTVWJNHKSCC-INIZCTEOSA-O 		(S)-tetrahydropapaverine
(S)-tetrahydropapaverine cation
(S)-tetrahydropapaverine(1+)

kegg.compound:C21631
keggC:C21631
YXWQTVWJNHKSCC-INIZCTEOSA-N 		(S)-Tetrahydropapaverine

metacyc.compound:CPD-15798
metacycM:CPD-15798
seed.compound:cpd33344
seedM:cpd33344
YXWQTVWJNHKSCC-INIZCTEOSA-O 		(S)-tetrahydropapaverine

CHEBI:195379
chebi:195379
YXWQTVWJNHKSCC-INIZCTEOSA-N 		(S)-tetrahydropapaverine
(-)-tetrahydropapaverine
(1S)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
(S)-norlaudanosine

keggC:M_C21631
seedM:M_cpd33344 		secondary/obsolete/fantasy identifier