Dataset
![molecular Image]()
Chalcone
Chemical Info
| InChI | InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+ |
|---|---|
| SMILES | O=C(\C=C\C1=CC=CC=C1)C1=CC=CC=C1 |
| InChI Key | DQFBYFPFKXHELB-VAWYXSNFSA-N |
| Molecular Formula | C15H12O |
| Exact Mass | 208.260 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303319 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:09:57.293006 |
| MetadataModified | 2025-02-09T18:33:44.312546 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HY-121054 | MedChemExpress |
| 29143 | BindingDB |
| J4.699J | Nikkaji |
| BZYACO | CCDC |
| J151.129G | Nikkaji |
| 69368 | Brenda |
| C01484 | KEGG Ligand |
| CHEMBL7976 | ChEMBL |
| 48965 | ChEBI |
| C15589 | KEGG Ligand |
| DTXSID20873536 | EPA CompTox Dashboard |
| CB7746253 | ChemicalBook |
| CB0746254 | ChemicalBook |
| ZINC000038139289 | ZINC |
| MTBLC48965 | Metabolights |
| 68884 | Brenda |
| 107399 | Brenda |
| 3804 | Brenda |
| HMDB0003066 | Human Metabolome Database |
| MCULE-3405447576 | Mcule |
| 16936955 | PubChem: Thomson Pharma |
| 637760 | PubChem |
| 60030789 | NMRShiftDB |
| PD087238 | ProbesDrugs |
| 94-41-7 | ACToR |
| 614-47-1 | ACToR |
| SCHEMBL27580 | SureChEMBL |
| 5S5A2Q39HX | FDA SRS |
| 479448 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |