| SpectraBase Spectrum ID |
KMNhbS6Ta8G |
| Name |
Tropic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
529-64-6; 552-63-6; 28845-94-5 |
| ChEBI ID |
30765 |
| Comments |
100 mM Tropic 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 H10 O3 |
| IUPAC Name |
3-hydroxy-2-phenylpropanoic acid; 3-hydroxy-2-phenyl-propionic acid; 3-hydroxy-2-phenyl-propanoic acid |
| InChI |
InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12) |
| InChIKey |
JACRWUWPXAESPB-UHFFFAOYSA-N |
| KEGG Compound ID |
C01456 |
| KEGG Pathways |
PATH: ko00960 Alkaloid biosynthesis II |
| PubChem Compound ID |
10726 |
| SMILES |
C1=CC=C(C=C1)C(CO)C(=O)O |
| Source File Reference |
bmse000413 |
