| SpectraBase Spectrum ID |
4zbAQAmY5PJ |
| Name |
4-Hydroxy-3-methoxycinnamaldehyde |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
458-36-6 |
| ChEBI ID |
16547 |
| Comments |
Saturated 4-Hydroxy-3-methoxycinnamaldehyde - 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 |
C10 H10 O3 |
| IUPAC Name |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrolein; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal |
| InChI |
InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ |
| InChIKey |
DKZBBWMURDFHNE-NSCUHMNNSA-N |
| KEGG Compound ID |
C02666 |
| KEGG Pathways |
PATH: ko00940 Phenylpropanoid biosynthesis |
| PubChem Compound ID |
5280536 |
| SMILES |
COC1=C(C=CC(=C1)C=CC=O)O; COC1=C(C=CC(=C1)\C=C\C=O)O |
| Source File Reference |
bmse000422 |
