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(S)-N-methylcoclaurine

PropertiesImage
MNX_IDMNXM934 Image of MNXM934
referencechebi:57993
formulaC18H22NO3
global charge1
mol weight300.378
InChIKeyBOKVLBSSPUTWLV-INIZCTEOSA-O
InChIInChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/p+1/t16-/m0/s1
SMILESCOC1=CC2=C(C=C1O)[C@H](CC1=CC=C(O)C=C1)[NH+](C)CC2
MNX internals
InChI (mnx)InChI=1/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m0/s1 Image of MNXM934
SMILES (mnx)[CH3:1][N:19]1[CH2:8][CH2:7][C:13]2=[CH:10][C:18]([O:22][CH3:2])=[C:17]([OH:21])[CH:11]=[C:15]2[C@@H:16]1[CH2:9][C:12]1=[CH:4][CH:6]=[C:14]([OH:20])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57993
chebi:57993
BOKVLBSSPUTWLV-INIZCTEOSA-O 		(S)-N-methylcoclaurine
(1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium
(S)-N-methylcoclaurinium cation
(S)-N-methylcoclaurinium(1+)

vmhM:snmcclrn
vmhmetabolite:snmcclrn
BOKVLBSSPUTWLV-INIZCTEOSA-N 		(S)-N-Methylcoclaurine
(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
hmdb:HMDB0060319
BOKVLBSSPUTWLV-INIZCTEOSA-N 		(S)-N-Methylcoclaurine
(1S)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
(S)-N-methylcoclaurine

sabiork.compound:7787
sabiorkM:7787
BOKVLBSSPUTWLV-INIZCTEOSA-N 		(S)-N-Methylcoclaurine
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2- methyl-7-isoquinolinol
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol

seed.compound:cpd03081
seedM:cpd03081
BOKVLBSSPUTWLV-INIZCTEOSA-O 		(S)-N-Methylcoclaurine
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2- methyl-7-isoquinolinol
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
(S)-1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl)methyl ]-6-methoxy-2-methyl -7-isoquinolinol
(S)-N-methylcoclaurine

kegg.compound:C05176
keggC:C05176
BOKVLBSSPUTWLV-INIZCTEOSA-N 		(S)-N-Methylcoclaurine
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol

CHEBI:17041
chebi:17041
BOKVLBSSPUTWLV-INIZCTEOSA-N 		(S)-N-methylcoclaurine
(1S)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
(S)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
(S)-N-Methylcoclaurine

metacyc.compound:S-N-METHYLCOCLAURINE
metacycM:S-N-METHYLCOCLAURINE
BOKVLBSSPUTWLV-INIZCTEOSA-O 		(S)-N-methylcoclaurine
(S)-1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl)methyl ]-6-methoxy-2-methyl -7-isoquinolinol

hmdb:HMDB60319
chebi:11056
chebi:11057
chebi:18768
chebi:430
keggC:M_C05176
seedM:M_cpd03081
vmhM:M_snmcclrn 		secondary/obsolete/fantasy identifier