Dataset
![molecular Image]()
Thymol
Chemical Info
| InChI | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)O |
| InChI Key | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
| Exact Mass | 150.105 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01140801 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T14:27:34.918044 |
| MetadataModified | 2025-02-09T09:54:52.860622 |
| MetadataPublished | 2023-04-27 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| PD009428 | ProbesDrugs |
| 89-83-8 | ACToR |
| 3J50XA376E | FDA SRS |
| SCHEMBL22165 | SureChEMBL |
| 6989 | PubChem |
| 15321622 | PubChem: Thomson Pharma |
| 484465 | eMolecules |
| thymol | DailyMed |
| MTBLC27607 | Metabolights |
| 8200 | Brenda |
| HMDB0001878 | Human Metabolome Database |
| CB6672399 | ChemicalBook |
| MCULE-1453057719 | Mcule |
| 10008971 | NMRShiftDB |
| CHEMBL29411 | ChEMBL |
| DB02513 | DrugBank |
| 2499 | Guide to Pharmacology |
| 27607 | ChEBI |
| IPB | PDBe |
| C09908 | KEGG Ligand |
| HY-N6810 | MedChemExpress |
| DTXSID6034972 | EPA CompTox Dashboard |
| LMPR0102090029 | LipidMaps |
| 4258 | DrugCentral |
| ZINC000000967597 | ZINC |
| J10.606B | Nikkaji |
| IPMEPL | CCDC |
| 50240432 | BindingDB |
| THYMOL | DailyMed |
| THYMOL | rxnorm |
| LISTERINE | rxnorm |
| THYMOL | clinicaltrials |
| The data in this table is sourced from UniChem at EBI. | |