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4-Glucosyl gallate

PropertiesImage
MNX_IDMNXM117900 Image of MNXM117900
referencechebi:191492
formulaC13H16O10
global charge0
mol weight332.261
InChIKeyIIXWHYFHBRXWOP-UHFFFAOYSA-N
InChIInChI=1S/C13H16O10/c14-3-7-11(9(18)10(19)13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2
SMILESO=C(OC1C(CO)OC(O)C(O)C1O)C1=CC(O)=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C13H16O10/c14-3-7-11(9(18)10(19)13(21)22-7)23-12(20)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-19,21H,3H2/t7?,9?,10?,11?,13? Image of MNXM117900
SMILES (mnx)[CH:1]1=[C:4]([C:12](=[O:20])[O:23][CH:11]2[CH:7]([CH2:3][OH:14])[O:22][CH:13]([OH:21])[CH:10]([OH:19])[CH:9]2[OH:18])[CH:2]=[C:6]([OH:16])[C:8]([OH:17])=[C:5]1[OH:15]
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:191492
chebi:191492
IIXWHYFHBRXWOP-UHFFFAOYSA-N 		4-Glucosyl gallate
[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
hmdb:HMDB0038912
IIXWHYFHBRXWOP-UHFFFAOYSA-N 		4-Glucosyl gallate
4,5,6-Trihydroxy-2-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoic acid
4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
4-Glucosyl gallic acid

hmdb:HMDB38912 		secondary/obsolete/fantasy identifier