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(S)-coclaurine

Properties

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Occurences in reactions

MNX_ID

MNXM726665

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₁₇H₂₀NO₃

charge

mass

286.14377

reference

chebi:57581

InChIKey

LVVKXRQZSRUVPY-HNNXBMFYSA-O

InChI

InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/p+1/t15-/m0/s1

SMILES

COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[NH2+]CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57581 chebi:57581	(S)-coclaurine (1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium (S)-coclaurinium (S)-coclaurinium cation
sabiork.compound:8566 sabiorkM:8566	(R,S)-Coclaurine 6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4- tetrahydroisoquinoline 6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline Coclaurine
seed.compound:cpd03676 seedM:cpd03676	(S)-Coclaurine (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7- isoquinolinol (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol 1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4- tetrahydroisoquinoline 1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline
kegg.compound:C06161 keggC:C06161	(S)-Coclaurine (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol 1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline Coclaurine
CHEBI:15950 chebi:15950	(S)-coclaurine (1S)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol (S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol (S)-Coclaurine 1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline Coclaurine
metacyc.compound:S-COCLAURINE metacycM:S-COCLAURINE	(S)-coclaurine (1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium
seed.compound:cpd03789 seedM:cpd03789	Coclaurine (1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium (R,S)-Coclaurine (S)-coclaurine 6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4- tetrahydroisoquinoline 6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline dl-Coclaurine
chebi:11062 chebi:416 keggC:M_C06161 seedM:M_cpd03676 seedM:M_cpd03789	secondary/obsolete/fantasy identifier