| SpectraBase Spectrum ID |
LHD9O4J5Zyl |
| Name |
Sinapic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
530-59-6; 7362-37-0 |
| ChEBI ID |
15714 |
| Comments |
100 mM sinapic acid - Sigma-Aldrich D7927
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 |
C11 H12 O5 |
| IUPAC Name |
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoic acid |
| InChI |
InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ |
| InChIKey |
PCMORTLOPMLEFB-ONEGZZNKSA-N |
| KEGG Compound ID |
C00482 |
| KEGG Pathways |
PATH: ko00940 Phenylpropanoid biosynthesis |
| PubChem Compound ID |
637775 |
| SMILES |
COC1=CC(=CC(=C1O)OC)C=CC(=O)O; COC1=CC(=CC(=C1O)OC)\C=C\C(=O)O |
| Source File Reference |
bmse000318 |
