Indoxyl-β-D-glucuronide

enlarge

Systematic / IUPAC Name: 3,4,5-Trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid

ID: Reference767

Other Names: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid;
Indoxyl glucuronide;
3-Indolyl-β-D-glucuronide;
β-D-Glucopyranosiduronic acid, 1H-indol-3-yl

Formula: C14H15NO7

Class: Endogenous Metabolites

Spectral Data

Indoxyl-β-D-glucuronide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 97
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/6/2015 9:29:24 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
InChI Key KUYNOZVWCFXSNE-BYNIDDHOSA-N
Canonical SMILES
CAS 149231458
Splash
Other Names (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid;
Indoxyl glucuronide;
3-Indolyl-β-D-glucuronide;
β-D-Glucopyranosiduronic acid, 1H-indol-3-yl

In Other Databases

ChemIDPlus 035804661
PubChem 2733785
HMDb HMDB10319; HMDB59804
ChEMBL CHEMBL2074589
ChemSpider 3581717