MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(R)-synephrine

	Properties	Image
MNX_ID	MNXM3096
reference	chebi:63694
formula	C₉H₁₄NO₂
global charge	1
mol weight	168.216
InChIKey	YRCWQPVGYLYSOX-VIFPVBQESA-O
InChI	InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
SMILES	C[NH2+]C[C@H](O)C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
SMILES (mnx)	[CH3:1][NH:10][CH2:6][C@@H:9]([C:7]1=[CH:3][CH:5]=[C:8]([OH:11])[CH:4]=[CH:2]1)[OH:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63694 chebi:63694 YRCWQPVGYLYSOX-VIFPVBQESA-O	(R)-synephrine (2R)-2-hydroxy-2-(4-hydroxyphenyl)-N-methylethanaminium (R)-synephrine(1+) D-(-)-synephrine D-(-)-synephrine(1+) D-synephrine(1+)
kegg.compound:C01869 keggC:C01869 YRCWQPVGYLYSOX-VIFPVBQESA-N	(-)-Sympatol (-)-Synephrine (R)-Synephrine
seed.compound:cpd01286 seedM:cpd01286 YRCWQPVGYLYSOX-VIFPVBQESA-O	(-)-Sympatol (-)-Synephrine (R)-Synephrine (R)-synephrine 1-(4-hydroxyphenyl)-2-(methylamino)ethanol 1-(4-hydroxyphenyl)-2-methylaminoethanol 4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol beta-methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol oxedrine sympatol
metacyc.compound:1-4-HYDROXYPHENYL-2-METHYLAMINOETHAN metacycM:1-4-HYDROXYPHENYL-2-METHYLAMINOETHAN YRCWQPVGYLYSOX-VIFPVBQESA-O	(R)-synephrine 1-(4-hydroxyphenyl)-2-(methylamino)ethanol 1-(4-hydroxyphenyl)-2-methylaminoethanol 4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol beta-methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol oxedrine sympatol
seed.compound:cpd02769 seedM:cpd02769 YRCWQPVGYLYSOX-UHFFFAOYSA-O	1-(4-Hydroxyphenyl)-2-(methylamino)ethanol (+/-)-Synephrine Synephrine
vmhM:14hphe2maoh vmhmetabolite:14hphe2maoh YRCWQPVGYLYSOX-UHFFFAOYSA-N	1-(4-Hydroxyphenyl)-2-(methylamino)ethanol 4-[1-hydroxy-2-(methylamino)ethyl]phenol
hmdb:HMDB0062811 YRCWQPVGYLYSOX-VIFPVBQESA-N	D-synephrine ( )-synephrine (-)-4-Hydroxy-a-[(methylamino)methyl]benzenemethanol (-)-4-Hydroxy-alpha-[(methylamino)methyl]benzenemethanol (-)-Oxedrine (-)-Sympatol (-)-Synephrine (-)-p-Hydroxy-a-[(methylamino)methyl]benzyl alcohol (-)-p-Hydroxy-alpha-[(methylamino)methyl]benzyl alcohol (R)-Synephrine 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol D(-)-Synephrine
CHEBI:119 chebi:119 YRCWQPVGYLYSOX-VIFPVBQESA-N	D-synephrine (-)-4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol (-)-Oxedrine (-)-Sympatol (-)-Synephrine (-)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol D(-)-Synephrine
kegg.drug:D07148 keggD:D07148 YRCWQPVGYLYSOX-UHFFFAOYSA-N	Oxedrine (BAN) (+/-)-Synephrine
kegg.compound:C04548 keggC:C04548 YRCWQPVGYLYSOX-UHFFFAOYSA-N	Synephrine (+/-)-Synephrine 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol
hmdb:HMDB0004826 YRCWQPVGYLYSOX-UHFFFAOYSA-N	p-Synephrine (+)-P-Synephrine (+)-Synephrine (+)-[(methylamino)Methyl]-benzenemethano (+/-)-synephrine -Synephrine 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol 1-(4-Hydroxyphenyl)-2-methylaminoethanol 4-Hydroxy-a-[(methylamino)methyl]benzenemethanol 4-Hydroxy-alpha-[(methylamino)methyl]benzenemethanol 4-[1-hydroxy-2-(methylamino)ethyl]phenol Analeptin Oxedrine Parasympatol Simpalon Simpatol Sympaethamin Sympaethamine Sympatol Synephrin Synephrine b-Methylamino-a-(4-hydroxyphenyl)ethyl alcohol beta-Methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol beta-methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol p-Hydroxy-a-[(methylamino)methyl]benzyl alcohol p-Hydroxy-alpha-[(methylamino)methyl]benzyl alcohol synephrine
CHEBI:29081 chebi:29081 YRCWQPVGYLYSOX-UHFFFAOYSA-N	synephrine (+/-)-Synephrine 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol 1-(4-hydroxyphenyl)-2-(methylamino)ethanol 1-(4-hydroxyphenyl)-2-methylaminoethanol 4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol Oxedrine Sympatol Synephrine beta-methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol
CHEBI:58606 chebi:58606 YRCWQPVGYLYSOX-UHFFFAOYSA-O	synephrine 2-hydroxy-2-(4-hydroxyphenyl)-N-methylethanaminium synephrinium
hmdb:HMDB04826 hmdb:HMDB62811 chebi:11190 chebi:18964 chebi:570 keggC:M_C01869 keggC:M_C04548 keggD:M_D07148 seedM:M_cpd01286 seedM:M_cpd02769 vmhM:M_14hphe2maoh	secondary/obsolete/fantasy identifier