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coclaurine

PropertiesImage
MNX_IDMNXM1370977 Image of MNXM1370977
referencechebi:58481
formulaC17H20NO3
global charge1
mol weight286.351
InChIKeyLVVKXRQZSRUVPY-UHFFFAOYSA-O
InChIInChI=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
SMILESCOC1=CC2=C(C=C1O)C(CC1=CC=C(O)C=C1)[NH2+]CC2
MNX internals
InChI (mnx)InChI=1/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/t15? Image of MNXM1370977
SMILES (mnx)[CH3:1][O:21][C:17]1=[C:16]([OH:20])[CH:10]=[C:14]2[C:12](=[CH:9]1)[CH2:6][CH2:7][NH:18][CH:15]2[CH2:8][C:11]1=[CH:3][CH:5]=[C:13]([OH:19])[CH:4]=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58481
chebi:58481
LVVKXRQZSRUVPY-UHFFFAOYSA-O 		coclaurine
(RS)-coclaurinium
7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium

kegg.compound:C06348
keggC:C06348
LVVKXRQZSRUVPY-UHFFFAOYSA-N 		(R,S)-Coclaurine
6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Machiline
dl-Coclaurine

CHEBI:18417
chebi:18417
LVVKXRQZSRUVPY-UHFFFAOYSA-N 		(RS)-coclaurine
(R,S)-Coclaurine
1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Coclaurine

vmhM:cclrn
vmhmetabolite:cclrn
LVVKXRQZSRUVPY-UHFFFAOYSA-N 		Coclaurine

seed.compound:cpd03789
seedM:cpd03789
LVVKXRQZSRUVPY-UHFFFAOYSA-O 		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
hmdb:HMDB0303359
LVVKXRQZSRUVPY-UHFFFAOYSA-N 		Coclaurine
(R,S)-Coclaurine
(RS)-coclaurine
1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
DL-Coclaurine
Machiline

chebi:11020
chebi:18713
chebi:360
keggC:M_C06348
seedM:M_cpd03789
vmhM:M_cclrn 		secondary/obsolete/fantasy identifier