p-Cresol glucuronide

enlarge

Systematic / IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid

ID: Reference14016

Other Names: AA-5865

Formula: C13H16O7

Class: Endogenous Metabolites

Spectral Data

p-Cresol 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 Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 180
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 7/24/2026 3:02:06 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1
InChI Key JPAUCQAJHLSMQW-XPORZQOISA-N
Canonical SMILES Cc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1
CAS
Splash
Other Names AA-5865

In Other Databases

PubChem 154035
HMDb HMDB0011686; HMDB0011686; HMDB0011686
ChEBI CHEBI:87986
ChemSpider 135751