| SpectraBase Spectrum ID |
3qEyOM0a4u0 |
| Name |
Hippuric acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
583-10-8; 532-93-4; 21251-67-2 |
| ChEBI ID |
18089 |
| Comments |
100 mM Hippuric acid - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9 H9 N O3 |
| IUPAC Name |
2-(benzoylamino)acetic acid; 2-[(oxo-phenylmethyl)amino]acetic acid; 2-(phenylcarbonylamino)ethanoic acid |
| InChI |
InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) |
| InChIKey |
QIAFMBKCNZACKA-UHFFFAOYSA-N |
| KEGG Compound ID |
C01586 |
| KEGG Pathways |
PATH: ko00360 Phenylalanine metabolism |
| PubChem Compound ID |
464 |
| SMILES |
C1=CC=C(C=C1)C(=O)NCC(=O)O |
| Source File Reference |
bmse000408 |
