Dataset
![molecular Image]()
Paeonol
Chemical Info
| InChI | InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3 |
|---|---|
| SMILES | COC1=CC(O)=C(C=C1)C(C)=O |
| InChI Key | UILPJVPSNHJFIK-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.176 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-PR303537 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:43:51.931395 |
| MetadataModified | 2024-01-11T20:43:52.116512 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C10712 | KEGG Ligand |
| 12013778 | PubChem: Drugs of the Future |
| CHEMBL1079227 | ChEMBL |
| 539102 | eMolecules |
| LAMNAP | CCDC |
| HMDB0256081 | Human Metabolome Database |
| MCULE-2846207321 | Mcule |
| 20033047 | NMRShiftDB |
| SCHEMBL1449478 | SureChEMBL |
| J4.483K | Nikkaji |
| 11092 | PubChem |
| PD000445 | ProbesDrugs |
| DB16830 | DrugBank |
| 15120380 | PubChem: Thomson Pharma |
| LSM-24937 | LINCS |
| 552-41-0 | ACToR |
| Paeonol(Peonol) | Selleck |
| 3R834EPI82 | FDA SRS |
| MTBLC69581 | Metabolights |
| CB7745872 | ChemicalBook |
| 37682 | Brenda |
| HY-N0159 | MedChemExpress |
| 69581 | ChEBI |
| DTXSID1022059 | EPA CompTox Dashboard |
| 50310718 | BindingDB |
| ZINC000000001906 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |