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4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside

Properties

Image

Occurences in reactions

MNX_ID

MNXM166294

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₁₆H₂₀NO₉

charge

-1

mass

370.11435

reference

biggM:CE3086

InChIKey

XEXCWFKGYJFAQK-LMXXTMHSSA-M

InChI

InChI=1S/C16H21NO9/c17-12-7(8(19)4-5-11(20)21)2-1-3-9(12)25-16-15(24)14(23)13(22)10(6-18)26-16/h1-3,10,13-16,18,22-24H,4-6,17H2,(H,20,21)/p-1/t10-,13-,14+,15-,16-/m1/s1

SMILES

Nc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1C(=O)CCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE3086 biggM:CE3086	4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside
hmdb:HMDB0062374	4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside 4-(2-Amino-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxobutanoate 4-(2-amino-3-Hydroxyphenyl)-4-oxobutanoate O-glucoside 4-(2-amino-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4-oxobutanoic acid 4-AHPh-oba-glu
hmdb:HMDB62374 biggM:M_CE3086	secondary/obsolete/fantasy identifier