| SpectraBase Spectrum ID |
KqrP89KXK1L |
| Name |
trans-3-Hydroxycinnamic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
588-30-7 |
| Comments |
100 mM 3-hydroxy cinnamic acid (prodominatly trans) - vendor: Sigma h23007; 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 |
(E)-3-(3-hydroxyphenyl)acrylic acid; (E)-3-(3-hydroxyphenyl)prop-2-enoic acid |
| InChI |
InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+ |
| InChIKey |
KKSDGJDHHZEWEP-SNAWJCMRSA-N |
| KEGG Compound ID |
C12621 |
| KEGG Pathways |
PATH: map00360 Phenylalanine metabolism |
| PubChem Compound ID |
637541 |
| SMILES |
C1=CC(=CC(=C1)O)C=CC(=O)O |
| Source File Reference |
bmse000093 |
