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

PropertiesImage
MNX_IDMNXM1452 Image of MNXM1452
referencechebi:58010
formulaC18H22NO4
global charge1
mol weight316.377
InChIKeyDAUPWJBRVZCBQB-AWEZNQCLSA-O
InChIInChI=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
SMILESCOC1=CC2=C(C=C1O)[C@H](CC1=CC=C(O)C(O)=C1)[NH+](C)CC2
MNX internals
InChI (mnx)InChI=1/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/t14-/m0/s1 Image of MNXM1452
SMILES (mnx)[CH3:1][N:19]1[CH2:6][CH2:5][C:12]2=[CH:9][C:18]([O:23][CH3:2])=[C:17]([OH:22])[CH:10]=[C:13]2[C@@H:14]1[CH2:7][C:11]1=[CH:8][C:16]([OH:21])=[C:15]([OH:20])[CH:4]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58010
chebi:58010
DAUPWJBRVZCBQB-AWEZNQCLSA-O 		(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
DAUPWJBRVZCBQB-AWEZNQCLSA-O 		(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
DAUPWJBRVZCBQB-AWEZNQCLSA-N 		(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
DAUPWJBRVZCBQB-AWEZNQCLSA-O 		(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
DAUPWJBRVZCBQB-AWEZNQCLSA-N 		(S)-3-Hydroxy-N-methylcoclaurine
(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
DAUPWJBRVZCBQB-AWEZNQCLSA-N 		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