Dataset
![molecular Image]()
Coumarin
Chemical Info
| InChI | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
|---|---|
| SMILES | O=C(C=1)Oc(c2)c(ccc2)C1 |
| InChI Key | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
| Exact Mass | 146.037 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00035 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:36:52.115548 |
| MetadataModified | 2025-02-09T13:03:28.578734 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB04665 | DrugBank |
| COU | PDBe |
| CHEMBL6466 | ChEMBL |
| 28794 | ChEBI |
| C05851 | KEGG Ligand |
| 12342 | BindingDB |
| COUMARIN | DailyMed |
| COUMARIN | rxnorm |
| COUMARIN | clinicaltrials |
| HY-N0709 | MedChemExpress |
| COUMAR | CCDC |
| 738 | DrugCentral |
| ZINC000000074709 | ZINC |
| J3.218B | Nikkaji |
| 250629 | Brenda |
| DTXSID7020348 | EPA CompTox Dashboard |
| 323 | PubChem |
| coumarin | Atlas |
| 15321560 | PubChem: Thomson Pharma |
| coumarin | Selleck |
| 91-64-5 | ACToR |
| coumarin | Recon |
| LSM-2519 | LINCS |
| A4VZ22K1WT | FDA SRS |
| PD002499 | ProbesDrugs |
| 494397 | eMolecules |
| HMDB0001218 | Human Metabolome Database |
| 6345 | Brenda |
| 51215 | Brenda |
| MTBLC28794 | Metabolights |
| 2835 | Brenda |
| coumarin | DailyMed |
| CB3112168 | ChemicalBook |
| MCULE-5433669098 | Mcule |
| 10008786 | NMRShiftDB |
| SCHEMBL6252 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |