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(S)-3'-hydroxy-N-methylcoclaurine

Properties

Image

Occurences in reactions

MNX_ID

MNXM1452

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

formula

C₁₈H₂₂NO₄

charge

mass

316.37162

reference

chebi:58010

InChIKey

DAUPWJBRVZCBQB-AWEZNQCLSA-O

InChI

InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/p+1/t14-/m0/s1

SMILES

COc1cc2CC[NH+](C)[C@@H](Cc3ccc(O)c(O)c3)c2cc1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58010 chebi:58010	(S)-3'-hydroxy-N-methylcoclaurine (1S)-1-(3,4-dihydroxybenzyl)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium (S)-3'-hydroxy-N-methylcoclaurinium (S)-3'-hydroxy-N-methylcoclaurinium cation (S)-3'-hydroxy-N-methylcoclaurinium(1+)
seed.compound:cpd03094 seedM:cpd03094	(S)-3'-Hydroxy-N-methylcoclaurine (S)-3-hydroxy-N-methylcoclaurine 3'-Hydroxy-N-methyl-(S)-coclaurine 3'-hydroxy-N-methyl-(S)-coclaurine 4-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinol-1-yl)methyl]benzene-1,2-diol
CHEBI:17079 chebi:17079	(S)-3'-hydroxy-N-methylcoclaurine (S)-3'-Hydroxy-N-methylcoclaurine 3'-Hydroxy-N-methyl-(S)-coclaurine 3'-hydroxy-(S)-N-methylcoclaurine 3'-hydroxy-N-methyl-(S)-coclaurine 4-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}benzene-1,2-diol
metacyc.compound:3-HYDROXY-N-METHYL-S-COCLAURINE metacycM:3-HYDROXY-N-METHYL-S-COCLAURINE	(S)-3'-hydroxy-N-methylcoclaurine 4-[(7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinol-1-yl)methyl]benzene-1,2-diol
hmdb:HMDB0006921	(S)-3-Hydroxy-N-methylcoclaurine 3'-Hydroxy-(S)-N-methylcoclaurine 3'-Hydroxy-N-methyl-(S)-coclaurine 4-benzene-1,2-diol 4-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}benzene-1,2-diol
sabiork.compound:7803 sabiorkM:7803 kegg.compound:C05202 keggC:C05202	3'-Hydroxy-N-methyl-(S)-coclaurine (S)-3'-Hydroxy-N-methylcoclaurine
hmdb:HMDB06921 chebi:11040 chebi:11678 chebi:1344 chebi:19850 keggC:M_C05202 seedM:M_cpd03094	secondary/obsolete/fantasy identifier