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1,2-dehydroreticuline

PropertiesImage
MNX_IDMNXM3351 Image of MNXM3351
referencechebi:18363
formulaC19H22NO4
global charge1
mol weight328.388
InChIKeyZALYXKJOOUDZCC-UHFFFAOYSA-O
InChIInChI=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
SMILESCOC1=CC2=C(C=C1O)C(CC1=CC(O)=C(OC)C=C1)=[N+](C)CC2
MNX internals
InChI (mnx)InChI=1/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) Image of MNXM3351
SMILES (mnx)[CH3:1][N+:20]1=[C:15]([CH2:8][C:12]2=[CH:9][C:16]([OH:21])=[C:18]([O:23][CH3:2])[CH:5]=[CH:4]2)[C:14]2=[CH:11][C:17]([O-:22])=[C:19]([O:24][CH3:3])[CH:10]=[C:13]2[CH2:6][CH2:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:18363
chebi:18363
ZALYXKJOOUDZCC-UHFFFAOYSA-O 		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
ZALYXKJOOUDZCC-UHFFFAOYSA-O 		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
ZALYXKJOOUDZCC-UHFFFAOYSA-O 		1,2-Dehydroreticuline
1,2-Dehydroreticulinium
3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium

vmhM:12dhrtclnm
vmhmetabolite:12dhrtclnm
ZALYXKJOOUDZCC-UHFFFAOYSA-O 		1,2-Dehydroreticulinium

metacyc.compound:12-DEHYDRORETICULINIUM
metacycM:12-DEHYDRORETICULINIUM
ZALYXKJOOUDZCC-UHFFFAOYSA-O 		1,2-dehydroreticuline
reticulinylium

chebi:11143
chebi:18872
chebi:490
keggC:M_C06167
seedM:M_cpd03680
vmhM:M_12dhrtclnm 		secondary/obsolete/fantasy identifier