| SpectraBase Spectrum ID |
9DFOdTEPu6M |
| Name |
4-Hydroxycinnamic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
7400-08-0 |
| ChEBI ID |
32374 |
| Comments |
100 mM 4-Hydroxycinnamic acid - vendor: Aldrich H2,320-1; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9H8O3 |
| IUPAC Name |
3-(4-hydroxyphenyl)acrylic acid; 3-(4-hydroxyphenyl)prop-2-enoic acid |
| InChI |
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12) |
| InChIKey |
NGSWKAQJJWESNS-UHFFFAOYSA-N |
| KEGG Compound ID |
C00811 |
| KEGG Pathways |
PATH: map00350 Tyrosine metabolism
PATH: map00360 Phenylalanine metabolism
PATH: map00940 Stilbene, coumarine and lignin biosynthesis |
| PubChem Compound ID |
322 |
| SMILES |
C1=CC(=CC=C1C=CC(=O)O)O |
| Source File Reference |
bmse000150 |
