| SpectraBase Spectrum ID |
GSnCGqmpLmA |
| Name |
Ferulic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1135-24-6; 97274-61-8 |
| ChEBI ID |
17620 |
| Comments |
100 mM Ferulic 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 |
C10 H10 O4 |
| IUPAC Name |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid |
| InChI |
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| InChIKey |
KSEBMYQBYZTDHS-HWKANZROSA-N |
| KEGG Compound ID |
C01494 |
| KEGG Pathways |
PATH: ko00940 Phenylpropanoid biosynthesis |
| PubChem Compound ID |
445858 |
| SMILES |
COC1=C(C=CC(=C1)C=CC(=O)O)O; COC1=C(C=CC(=C1)\C=C\C(=O)O)O |
| Source File Reference |
bmse000459 |
