| SpectraBase Spectrum ID |
Dq2Tbad5mjh |
| Name |
Dihydrocoumarin |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
119-84-6; 1341-36-2 |
| ChEBI ID |
16151 |
| Comments |
Saturated Dihydrocoumarin - 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 |
C9 H8 O2 |
| IUPAC Name |
2-chromanone; chroman-2-one |
| InChI |
InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2 |
| InChIKey |
VMUXSMXIQBNMGZ-UHFFFAOYSA-N |
| KEGG Compound ID |
C02274 |
| KEGG Pathways |
PATH: ko00628 Fluorene degradation |
| PubChem Compound ID |
660 |
| SMILES |
C1CC(=O)OC2=CC=CC=C21 |
| Source File Reference |
bmse000412 |
