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N-Acetyltyramine Glucuronide-[d3]

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General Information
Catalog: BLP-012785
CAS: 1429623-59-5
Molecular Formula: C16H18D3NO8
Molecular Weight: 358.36

Chemical Structure

Synonyms	N-Acetyltyramine Glucuronide D3; β-D-p-(2-Acetamidoethyl)phenyl Glucopyranosiduronic Acid-d3; 4-[2-(Acetylamino)ethyl]phenyl β-D-Glucopyranosiduronic Acid-d3; Acetamide-d3, N-[2-[4-(β-D-glucopyranuronosyloxy)phenyl]ethyl]-
IUPAC Name	(2S,3S,4S,5R,6S)-6-(4-(2-(acetamido-2,2,2-d3)ethyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Related CAS	28116-26-9 (unlabelled)
Canonical SMILES	CC(=O)NCCC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O
InChI	InChI=1S/C16H21NO8/c1-8(18)17-7-6-9-2-4-10(5-3-9)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h2-5,11-14,16,19-21H,6-7H2,1H3,(H,17,18)(H,22,23)/t11-,12-,13+,14-,16+/m0/s1/i1D3
InChI Key	DDAQSNRNVPNZJX-XDOKUOKQSA-N