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

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1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

	Properties	Image
MNX_ID	MNXM55705
reference	chebi:53650
formula	C₁₇H₂₀O₆
global charge	0
mol weight	320.341
InChIKey	PPZSOILKWHVNNS-UHFFFAOYSA-N
InChI	InChI=1S/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3
SMILES	COC1=C(O)C=CC(C(O)C(CO)OC2=C(OC)C=CC=C2)=C1

MNX internals

InChI (mnx)	InChI=1/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3/t16?,17?
SMILES (mnx)	[CH3:1][O:21][C:13]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:14]1[O:23][CH:16]([CH2:10][OH:18])[CH:17]([C:11]1=[CH:9][C:15]([O:22][CH3:2])=[C:12]([OH:19])[CH:8]=[CH:7]1)[OH:20]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:53650 chebi:53650 PPZSOILKWHVNNS-UHFFFAOYSA-N	1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol 1-(3-Methoxy-4-hydroxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol 1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol 1-[4-hydroxy-3-(methyloxy)phenyl]-2-{[2-(methyloxy)phenyl]oxy}propane-1,3-diol 2-(2-Methoxyphenoxy)-3-(3-methoxy-4-hydroxyphenyl)propane-1,3-diol 2-Methoxy-4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]phenol GGBGE GGGE Guaiacylglycerol-beta-O-4-guaiacyl ether guaiacylglycerol-beta-guaiacyl ether
kegg.compound:C21422 keggC:C21422 PPZSOILKWHVNNS-UHFFFAOYSA-N	1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
metacyc.compound:CPD-18523 metacycM:CPD-18523 seed.compound:cpd35382 seedM:cpd35382 PPZSOILKWHVNNS-UHFFFAOYSA-N	1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
metacyc.compound:Erythro-GGE metacycM:Erythro-GGE PPZSOILKWHVNNS-UHFFFAOYSA-N	erythro-guaiacylglycerol-beta-guaiacyl ether erythro-GGE
metacyc.compound:Guaiacylglycerol-guaiacyl-ether metacycM:Guaiacylglycerol-guaiacyl-ether PPZSOILKWHVNNS-UHFFFAOYSA-N	guaiacylglycerol-beta-guaiacyl ether GGE
metacyc.compound:Threo-GGE metacycM:Threo-GGE PPZSOILKWHVNNS-UHFFFAOYSA-N	threo-guaiacylglycerol-beta-guaiacyl ether threo-GGE
keggC:M_C21422 seedM:M_cpd35382	secondary/obsolete/fantasy identifier