| SpectraBase Spectrum ID |
CGTqaNVObp0 |
| Name |
3-Hydroxyphenylacetic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
621-37-4 |
| ChEBI ID |
17445 |
| Comments |
100 mM 3-hydroxyphenylacetic 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 |
C8 H8 O3 |
| IUPAC Name |
2-(3-hydroxyphenyl)acetic acid; 2-(3-hydroxyphenyl)ethanoic acid |
| InChI |
InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) |
| InChIKey |
FVMDYYGIDFPZAX-UHFFFAOYSA-N |
| KEGG Compound ID |
C05593 |
| KEGG Pathways |
PATH: ko00350 Tyrosine metabolism
PATH: ko00360 Phenylalanine metabolism
PATH: ko00643 Styrene degradation |
| PubChem Compound ID |
12122 |
| SMILES |
C1=CC(=CC(=C1)O)CC(=O)O |
| Source File Reference |
bmse000339 |
