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4-O-(beta-D-glucosyl)-trans-4-coumarate

PropertiesImage
MNX_IDMNXM736075 Image of MNXM736075
referencechebi:79066
formulaC15H17O8
global charge-1
mol weight325.293
InChIKeyLJFYQZQUAULRDF-FDGSXQGBSA-M
InChIInChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/p-1/b6-3+/t10-,12-,13+,14-,15-/m1/s1
SMILESO=C([O-])/C=C/C1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1 Image of MNXM736075
SMILES (mnx)[CH:1]1=[CH:4][C:9]([O:22][C@H:15]2[C@H:14]([OH:21])[C@@H:13]([OH:20])[C@H:12]([OH:19])[C@@H:10]([CH2:7][OH:16])[O:23]2)=[CH:5][CH:2]=[C:8]1/[CH:3]=[CH:6]/[C:11](=[O:17])[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:79066
chebi:79066
LJFYQZQUAULRDF-FDGSXQGBSA-M 		4-O-(beta-D-glucosyl)-trans-4-coumarate
(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylate
(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoate
4-O-beta-D-glucosyl-4-hydroxycinnamate
4-O-beta-D-glucosyl-trans-4-coumarate

kegg.compound:C04415
keggC:C04415
LJFYQZQUAULRDF-FDGSXQGBSA-N 		4-O-beta-D-Glucosyl-4-hydroxycinnamate

seed.compound:cpd02694
seedM:cpd02694
LJFYQZQUAULRDF-FDGSXQGBSA-M 		4-O-beta-D-Glucosyl-4-hydroxycinnamate
4-O-beta-D-glucosyl-4-hydroxycinnamate

metacyc.compound:CPD-457
metacycM:CPD-457
LJFYQZQUAULRDF-FDGSXQGBSA-M 		4-O-beta-D-glucosyl-4-hydroxycinnamate

CHEBI:83032
chebi:83032
LJFYQZQUAULRDF-FDGSXQGBSA-N 		4-O-beta-D-glucosyl-trans-4-coumaric acid
(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylic acid
(2E)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid
3-(4-(beta-D-Glucopyranosyloxy)phenyl)-2-Propenoic acid
4-O-[4-(2-Carboxyvinyl)phenyl]-beta-D-glucopyranose
4-O-beta-D-Glucosyl-4-coumaric acid
4-O-beta-D-glucosyl-4-hydroxycinnamic acid
trans-beta-D-glucosyl-4-hydroxycinnamic acid
trans-p-Coumaric acid 4-glucoside

keggC:M_C04415
seedM:M_cpd02694 		secondary/obsolete/fantasy identifier