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

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norlaudanosoline

	Properties	Image
MNX_ID	MNXM1364804
reference	chebi:28770
formula	C₁₆H₁₇NO₄
global charge	0
mol weight	287.315
InChIKey	ABXZOXDTHTTZJW-UHFFFAOYSA-N
InChI	InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
SMILES	OC1=C(O)C=C(CC2NCCC3=CC(O)=C(O)C=C32)C=C1

MNX internals

InChI (mnx)	InChI=1/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/t12?
SMILES (mnx)	[CH:1]1=[CH:2][C:13]([OH:18])=[C:14]([OH:19])[CH:6]=[C:9]1[CH2:5][CH:12]1[C:11]2=[CH:8][C:16]([OH:21])=[C:15]([OH:20])[CH:7]=[C:10]2[CH2:3][CH2:4][NH:17]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28770 chebi:28770 ABXZOXDTHTTZJW-UHFFFAOYSA-N	norlaudanosoline (R,S)-Norlaudanosoline 1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Norlaudanosoline Tetrahydropapaveroline
bigg.metabolite:C06350 biggM:C06350 ABXZOXDTHTTZJW-UHFFFAOYSA-N	(R,S)-Norlaudanosoline
sabiork.compound:8568 sabiorkM:8568 ABXZOXDTHTTZJW-UHFFFAOYSA-N	(R,S)-Norlaudanosoline Norlaudanosoline Tetrahydropapaveroline
seed.compound:cpd03791 seedM:cpd03791 ABXZOXDTHTTZJW-UHFFFAOYSA-O	Norlaudanosoline (R,S)-Norlaudanosoline Tetrahydropapaveroline
kegg.compound:C06350 keggC:C06350 ABXZOXDTHTTZJW-UHFFFAOYSA-N	Tetrahydropapaveroline (R,S)-Norlaudanosoline Norlaudanosoline
metacyc.compound:CPD-21758 metacycM:CPD-21758 ABXZOXDTHTTZJW-UHFFFAOYSA-O	norlaudanosoline tetrahydropapaveroline
chebi:18715 chebi:362 biggM:M_C06350 keggC:M_C06350 seedM:M_cpd03791	secondary/obsolete/fantasy identifier