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4'-O-methylnorbelladine

PropertiesImage
MNX_IDMNXM4996 Image of MNXM4996
referencechebi:133993
formulaC16H20NO3
global charge1
mol weight274.34
InChIKeySDLILULALIDNSO-UHFFFAOYSA-O
InChIInChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3/p+1
SMILESCOC1=C(O)C=C(C[NH2+]CCC2=CC=C(O)C=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3 Image of MNXM4996
SMILES (mnx)[CH3:1][O:20][C:16]1=[C:15]([OH:19])[CH:10]=[C:13]([CH2:11][NH:17][CH2:9][CH2:8][C:12]2=[CH:3][CH:6]=[C:14]([OH:18])[CH:5]=[CH:2]2)[CH:4]=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)19
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133993
chebi:133993
SDLILULALIDNSO-UHFFFAOYSA-O 		4'-O-methylnorbelladine
4'-O-methylnorbelladine(1+)
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-(4-hydroxyphenyl)ethan-1-aminium

kegg.compound:C16702
keggC:C16702
SDLILULALIDNSO-UHFFFAOYSA-N 		4'-O-Methylnorbelladine

seed.compound:cpd16509
seedM:cpd16509
SDLILULALIDNSO-UHFFFAOYSA-O 		4'-O-Methylnorbelladine
4'-O-methylnorbelladine
5-({[2-(4-hydroxyphenyl)ethyl]amino}methyl)-2-methoxyphenol

metacyc.compound:CPD-19421
metacycM:CPD-19421
SDLILULALIDNSO-UHFFFAOYSA-N 		4'-O-methylnorbelladine
5-({[2-(4-hydroxyphenyl)ethyl]amino}methyl)-2-methoxyphenol

CHEBI:80667
chebi:80667
SDLILULALIDNSO-UHFFFAOYSA-N 		4'-O-methylnorbelladine
5-({[2-(4-hydroxyphenyl)ethyl]amino}methyl)-2-methoxyphenol
N-isovanillyltyramine

keggC:M_C16702
seedM:M_cpd16509 		secondary/obsolete/fantasy identifier