| SpectraBase Spectrum ID |
5b0kGrJjGw6 |
| Name |
Coumarin |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
91-64-5 |
| ChEBI ID |
28794 |
| Comments |
100 mM coumarin - vendor: Sigma c4261; Solvent: D-chloroform; Temperature=298 K; NMR Reference: 0.03 %V TMS; 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 |
C9H6O2 |
| IUPAC Name |
chromen-2-one |
| InChI |
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| InChIKey |
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
| KEGG Compound ID |
C05851 |
| KEGG Pathways |
PATH: map00940 Stilbene, coumarine and lignin biosynthesis |
| PubChem Compound ID |
323 |
| SMILES |
C1=CC=C2C(=C1)C=CC(=O)O2 |
| Source File Reference |
bmse000077 |
