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1,2-dehydroreticuline

Properties

Image

Occurences in reactions

MNX_ID

MNXM3351

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₁₉H₂₂NO₄

charge

mass

328.15433

reference

InChIKey

ZALYXKJOOUDZCC-UHFFFAOYSA-O

InChI

InChI=1S/C19H21NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11H,6-8H2,1-3H3,(H-,21,22)/p+1

SMILES

COc1ccc(CC2=[N+](C)CCc3cc(OC)c(O)cc32)cc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18363 chebi:18363	1,2-dehydroreticuline 1,2-Dehydroreticuline 1,2-Dehydroreticulinium 3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium 7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-3,4-dihydroisoquinolinium reticulinylium
seed.compound:cpd03680 seedM:cpd03680	1,2-Dehydroreticuline 1,2-Dehydroreticulinium 1,2-dehydroreticuline 1,2-dehydroreticulinium 3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6- methoxy-2-(methyl-14C)-isoquinolinium 3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium reticulinylium
kegg.compound:C06167 keggC:C06167	1,2-Dehydroreticuline 1,2-Dehydroreticulinium 3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium
metacyc.compound:12-DEHYDRORETICULINIUM metacycM:12-DEHYDRORETICULINIUM	1,2-dehydroreticuline reticulinylium
chebi:11143 chebi:18872 chebi:490 keggC:M_C06167 seedM:M_cpd03680	secondary/obsolete/fantasy identifier