| SpectraBase Spectrum ID |
LuNfkM5vNVu |
| Name |
trans-Cinnamic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
140-10-3 |
| ChEBI ID |
15669 |
| Comments |
100 mM Trans_cinnamic_acid - vendor: Sigma c80857; 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 |
C9H8O2 |
| IUPAC Name |
cinnamic acid; (E)-3-phenylprop-2-enoic acid |
| InChI |
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+ |
| InChIKey |
WBYWAXJHAXSJNI-VOTSOKGWSA-N |
| KEGG Compound ID |
C00423 |
| KEGG Pathways |
PATH: map00360 Phenylalanine metabolism
PATH: map00940 Stilbene, coumarine and lignin biosynthesis
PATH: map00960 Alkaloid biosynthesis II |
| PubChem Compound ID |
444539 |
| SMILES |
C1=CC=C(C=C1)C=CC(=O)O |
| Source File Reference |
bmse000124 |
