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4-O-(beta-D-glucosyl)-4-(E)-coniferyl aldehyde

PropertiesImage
MNX_IDMNXM16830 Image of MNXM16830
referencechebi:136949
formulaC16H20O8
global charge0
mol weight340.328
InChIKeyPJFKUPRDDXTASO-FAOXUISGSA-N
InChIInChI=1S/C16H20O8/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/h2-7,12-16,18-21H,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
SMILESCOC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(/C=C/C=O)=C1
MNX internals
InChI (mnx)InChI=1/C16H20O8/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/h2-7,12-16,18-21H,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1 Image of MNXM16830
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]/[CH:6]=[O:17])=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136949
chebi:136949
PJFKUPRDDXTASO-FAOXUISGSA-N 		4-O-(beta-D-glucosyl)-4-(E)-coniferyl aldehyde
2-methoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl beta-D-glucopyranoside
coniferaldehyde O-beta-D-glucoside
coniferaldehyde beta-D-glucoside
coniferaldehyde beta-glucoside
coniferaldehyde glucoside
ferulaldehyde O-beta-D-glucoside
ferulaldehyde beta-D-glucoside
ferulaldehyde beta-glucoside
ferulaldehyde glucoside

metacyc.compound:CPD-81
metacycM:CPD-81
seed.compound:cpd25048
seedM:cpd25048
PJFKUPRDDXTASO-FAOXUISGSA-N 		coniferaldehyde glucoside
coniferyl aldehyde-4-O-beta-D-glucopyranoside

seedM:M_cpd25048 		secondary/obsolete/fantasy identifier