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(S)-coclaurine

PropertiesImage
MNX_IDMNXM1370976 Image of MNXM1370976
referencechebi:57581
formulaC17H20NO3
global charge1
mol weight286.351
InChIKeyLVVKXRQZSRUVPY-HNNXBMFYSA-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/t15-/m0/s1
SMILESCOC1=C(O)C=C2C(=C1)CC[NH2+][C@H]2CC1=CC=C(O)C=C1
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-/m0/s1 Image of MNXM1370976
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][C@H: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)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57581
chebi:57581
LVVKXRQZSRUVPY-HNNXBMFYSA-O 		(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
LVVKXRQZSRUVPY-HNNXBMFYSA-N 		(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

vmhM:scclrn
vmhmetabolite:scclrn
LVVKXRQZSRUVPY-HNNXBMFYSA-N 		(S)-Coclaurine

seed.compound:cpd03676
seedM:cpd03676
LVVKXRQZSRUVPY-HNNXBMFYSA-O 		(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
LVVKXRQZSRUVPY-HNNXBMFYSA-N 		(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
LVVKXRQZSRUVPY-HNNXBMFYSA-N 		(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
LVVKXRQZSRUVPY-HNNXBMFYSA-O 		(S)-coclaurine
(1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium

chebi:11062
chebi:416
keggC:M_C06161
seedM:M_cpd03676
vmhM:M_scclrn 		secondary/obsolete/fantasy identifier