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4-O-beta-D-glucosyl-4-coumaric acid

MNXM4372 is deprecated and here replaced by MNXM736074
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736074 Image of MNXM736074
referencechebi:17335
formulaC15H18O8
global charge0
mol weight326.301
InChIKeyLJFYQZQUAULRDF-TVKJYDDYSA-N
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)/t10-,12-,13+,14-,15-/m1/s1
SMILESO=C(O)C=CC1=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 MNXM736074
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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17335
chebi:17335
LJFYQZQUAULRDF-TVKJYDDYSA-N 		4-O-beta-D-glucosyl-4-coumaric acid
3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylic acid
3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid
4-O-[4-(2-carboxyvinyl)phenyl]-beta-D-glucopyranose

CHEBI:47893
chebi:47893
LJFYQZQUAULRDF-TVKJYDDYSA-M 		4-O-beta-D-glucosyl-4-coumarate
3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylate
3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoate
4-O-beta-D-Glucosyl-4-hydroxycinnamate

chebi:11950
chebi:1919
chebi:20300 		secondary/obsolete/fantasy identifier