Dataset
![molecular Image]()
Eugenol
Chemical Info
| InChI | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 |
|---|---|
| SMILES | C=CCc(c1)cc(OC)c(O)c1 |
| InChI Key | RRAFCDWBNXTKKO-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.084 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-FIO00504 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:38:37.618938 |
| MetadataModified | 2024-01-11T16:38:37.827640 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 3314 | PubChem |
| 10009242 | NMRShiftDB |
| 500709 | eMolecules |
| eugenol | DailyMed |
| CB7208326 | ChemicalBook |
| 4917 | Rhea |
| HMDB0005809 | Human Metabolome Database |
| 91093 | Brenda |
| 909 | Brenda |
| MTBLC4917 | Metabolights |
| PD002332 | ProbesDrugs |
| EOL | PDBe |
| 3T8H1794QW | FDA SRS |
| 15321782 | PubChem: Thomson Pharma |
| 97-53-0 | ACToR |
| SCHEMBL20361 | SureChEMBL |
| LSM-2720 | LINCS |
| 4917 | ChEBI |
| 2425 | Guide to Pharmacology |
| C10453 | KEGG Ligand |
| CHEMBL42710 | ChEMBL |
| EUGENOL | DailyMed |
| EUGENOL | rxnorm |
| EUGENOL | clinicaltrials |
| HY-N0337 | MedChemExpress |
| DB09086 | DrugBank |
| DTXSID9020617 | EPA CompTox Dashboard |
| 4648 | DrugCentral |
| ZINC000000001411 | ZINC |
| J3.977B | Nikkaji |
| WUTFEZ | CCDC |
| 50164168 | BindingDB |
| The data in this table is sourced from UniChem at EBI. | |