4-O-α-D-Galactopyranuronosyl-D-galacturonic acid

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Systematic / IUPAC Name: 6-(2-Carboxy-4,5,6-trihydroxyoxan-3-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

ID: Reference13867

Other Names: 4-O-Hexopyranuronosylhexopyranuronic acid;
AA-2706

Formula: C12H18O13

Class: Endogenous Metabolites

Spectral Data

4-O-α-D-Galactopyranuronosyl-D-galacturonic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 854
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/27/2026 12:11:26 PM
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Identificators

InChI InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)
InChI Key IGSYEZFZPOZFNC-UHFFFAOYSA-N
Canonical SMILES O=C(O)C1OC(OC2C(C(=O)O)OC(O)C(O)C2O)C(O)C(O)C1O
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Other Names 4-O-Hexopyranuronosylhexopyranuronic acid;
AA-2706

In Other Databases

PubChem 4532283
ChemSpider 3726961