MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(S)-6-O-methylnorlaudanosoline

	Properties	Image
MNX_ID	MNXM2340
reference	chebi:27460
formula	C₁₇H₁₉NO₄
global charge	0
mol weight	301.342
InChIKey	RHMGJTZOFARRHB-ZDUSSCGKSA-N
InChI	InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3/t13-/m0/s1
SMILES	COC1=C(O)C=C2C(=C1)CCN[C@H]2CC1=CC(O)=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3/t13-/m0/s1
SMILES (mnx)	[CH3:1][O:22][C:17]1=[C:16]([OH:21])[CH:9]=[C:12]2[C:11](=[CH:8]1)[CH2:4][CH2:5][NH:18][C@H:13]2[CH2:6][C:10]1=[CH:7][C:15]([OH:20])=[C:14]([OH:19])[CH:3]=[CH:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27460 chebi:27460 RHMGJTZOFARRHB-ZDUSSCGKSA-N	(S)-6-O-methylnorlaudanosoline (S)-3'-Hydroxycoclaurine (S)-6-O-Methylnorlaudanosoline 4-{[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}benzene-1,2-diol
vmhM:somthnnsln vmhmetabolite:somthnnsln RHMGJTZOFARRHB-ZDUSSCGKSA-N	(S)-6-O-Methylnorlaudanosoline
seed.compound:cpd03927 seedM:cpd03927 kegg.compound:C06517 keggC:C06517 RHMGJTZOFARRHB-ZDUSSCGKSA-N RHMGJTZOFARRHB-ZDUSSCGKSA-O	(S)-6-O-Methylnorlaudanosoline (S)-3'-Hydroxycoclaurine
metacyc.compound:6-O-METHYLNORLAUDANOSOLINE metacycM:6-O-METHYLNORLAUDANOSOLINE RHMGJTZOFARRHB-ZDUSSCGKSA-O	(S)-6-O-methylnorlaudanosoline
sabiork.compound:7804 sabiorkM:7804 kegg.compound:C05203 keggC:C05203 vmhM:omthnnsln vmhmetabolite:omthnnsln RHMGJTZOFARRHB-UHFFFAOYSA-N	6-O-Methylnorlaudanosoline
seed.compound:cpd03095 seedM:cpd03095 RHMGJTZOFARRHB-UHFFFAOYSA-O	6-O-Methylnorlaudanosoline 4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinol-1-yl)methyl] benzene-1,2-diol 6-O-methylnorlaudanosoline
CHEBI:57578 chebi:57578 RHMGJTZOFARRHB-UHFFFAOYSA-O	6-O-methylnorlaudanosoline 1-(3,4-dihydroxybenzyl)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolinium 6-O-methylnorlaudanosolinium 6-O-methylnorlaudanosolinium cation
metacyc.compound:CPD-21765 metacycM:CPD-21765 RHMGJTZOFARRHB-UHFFFAOYSA-O	6-O-methylnorlaudanosoline 4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinol-1-yl)methyl] benzene-1,2-diol
CHEBI:15944 chebi:15944 RHMGJTZOFARRHB-UHFFFAOYSA-N	6-O-methylnorlaudanosoline 4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]benzene-1,2-diol 6-O-Methylnorlaudanosoline
chebi:12198 chebi:18762 chebi:2223 chebi:410 keggC:M_C05203 keggC:M_C06517 seedM:M_cpd03095 seedM:M_cpd03927 vmhM:M_omthnnsln vmhM:M_somthnnsln	secondary/obsolete/fantasy identifier