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

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4-O-(beta-D-glucosyl)-(E)-coniferol

	Properties	Image
MNX_ID	MNXM2362
reference	chebi:16220
formula	C₁₆H₂₂O₈
global charge	0
mol weight	342.344
InChIKey	SFLMUHDGSQZDOW-FAOXUISGSA-N
InChI	InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
SMILES	COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
SMILES (mnx)	[CH3:1][O:22][C:11]1=[C:10]([O:23][C@H:16]2[C@H:15]([OH:21])[C@@H:14]([OH:20])[C@H:13]([OH:19])[C@@H:12]([CH2:8][OH:18])[O:24]2)[CH:5]=[CH:4][C:9](/[CH:3]=[CH:2]/[CH2:6][OH:17])=[CH:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16220 chebi:16220 SFLMUHDGSQZDOW-FAOXUISGSA-N	4-O-(beta-D-glucosyl)-(E)-coniferol 4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside Coniferin Coniferyl alcohol beta-D-glucoside coniferin
sabiork.compound:5219 sabiorkM:5219 kegg.compound:C00761 keggC:C00761 SFLMUHDGSQZDOW-FAOXUISGSA-N	Coniferin
hmdb:HMDB0013682 SFLMUHDGSQZDOW-FAOXUISGSA-N	Coniferin (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}oxane-3,4,5-triol (e)-Coniferin 3-(4beta-D-Glucopyranosyloxy-3-methoxy)phenyl-(2E)-propenol 3-(4beta-D-Glucopyranosyloxy-3-methoxy)phenyl-2E-propenol 3-(4beta-D-glucopyranosyloxy-3-methoxy)phenyl-(2E)-propenol 3-(4beta-D-glucopyranosyloxy-3-methoxy)phenyl-2E-propenol 4-(3-Hydroxy-1-propen-1-yl)-2-methoxyphenyl beta-glucopyranoside 4-(3-Hydroxy-1-propenyl)-2-methoxyphenyl-beta-D-glucopyranoside 4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside 4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-delta-glucopyranoside 4-Hydroxy-3-methoxy-1-(gamma-hydroxypropenyl)benzene-4-D-glucoside 4-O-(b-D-Glucosyl)-trans-coniferol 4-O-(beta-D-Glucosyl)-trans-coniferol 4-O-(beta-D-glucosyl)-trans-coniferol 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenyl beta-D-glucopyranoside Abietin Coniferosid Coniferoside Coniferyl alcohol 4-O-glucoside Coniferyl alcohol b-D-glucoside Coniferyl alcohol beta-D-glucoside Coniferyl alcohol beta-delta-glucoside Coniferyl alcohol beta-glucoside Coniferyl alcohol-4-O-beta-D-glucopyranoside Laricin coniferin trans-Coniferin
seed.compound:cpd00565 seedM:cpd00565 SFLMUHDGSQZDOW-FAOXUISGSA-N	Coniferin coniferin coniferyl alcohol-4-O-beta-D-glucopyranoside
metacyc.compound:CPD-1777 metacycM:CPD-1777 SFLMUHDGSQZDOW-FAOXUISGSA-N	coniferin coniferyl alcohol-4-O-beta-D-glucopyranoside
hmdb:HMDB0036585 hmdb:HMDB13682 hmdb:HMDB36585 chebi:14015 chebi:23370 chebi:3857 keggC:M_C00761 seedM:M_cpd00565	secondary/obsolete/fantasy identifier