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threo-Pentaric acid, 2-amino-3-carboxy-2,3,4-trideoxy-2-C-methyl-
SpectraBase Compound ID EPsJUpLRvXG
InChI InChI=1S/C7H11NO6/c1-7(8,6(13)14)3(5(11)12)2-4(9)10/h3H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKey XJJVWPCBYSSJDP-UHFFFAOYSA-N
Mol Weight 205.17 g/mol
Molecular Formula C7H11NO6
Exact Mass 205.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MIb0NII2uh
Name threo-Pentaric acid, 2-amino-3-carboxy-2,3,4-trideoxy-2-C-methyl-
Alternate Name(s) 2-Amino-3-carboxy-2-methyl-1,5-pentanedioic acid 3-Amino-1,2,3-butanetricarboxylic acid
CAS Registry Number 60027-04-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO6
InChI InChI=1S/C7H11NO6/c1-7(8,6(13)14)3(5(11)12)2-4(9)10/h3H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKey XJJVWPCBYSSJDP-UHFFFAOYSA-N
Molecular Weight 205.166 g/mol
SMILES OC(C(C(CC(=O)O)C(=O)O)(N)C)=O
SPLASH splash10-0006-5900000000-3a6e80490b3174db222f
Source of Spectrum F-32-575-0
Wiley ID 1203170