3-Hydroxyhippuric acid

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Systematic / IUPAC Name: 2-[(3-Hydroxybenzoyl)amino]acetic acid

ID: Reference14029

Other Names: m-Hydroxyhippuric acid;
AA-2665

Formula: C9H9NO4

Class: Endogenous Metabolites

Spectral Data

3-Hydroxyhippuric 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 1478
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2026 8:37:22 PM
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Identificators

InChI InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
InChI Key XDOFWFNMYJRHEW-UHFFFAOYSA-N
Canonical SMILES O=C(O)CNC(=O)c1cccc(O)c1
CAS
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Other Names m-Hydroxyhippuric acid;
AA-2665

In Other Databases

HMDb HMDB0006116; HMDB0006116; HMDB0006116; HMDB06116
PubChem 450268; 450268
ChemSpider 396603
DrugBank DB07069; DB07069
ChEMBL CHEMBL447627
ChEBI CHEBI:70824