Dataset
![molecular Image]()
Scoparone
Chemical Info
| InChI | InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3 |
|---|---|
| SMILES | COC1=C(OC)C=C2C=CC(=O)OC2=C1 |
| InChI Key | GUAFOGOEJLSQBT-UHFFFAOYSA-N |
| Molecular Formula | C11H10O4 |
| Exact Mass | 206.197 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-PR303608 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:42:16.172846 |
| MetadataModified | 2024-01-11T20:42:16.329959 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HMDB0030818 | Human Metabolome Database |
| CB3486326 | ChemicalBook |
| 97143 | Brenda |
| 492331 | eMolecules |
| 8417 | PubChem |
| 60021232 | NMRShiftDB |
| PD044382 | ProbesDrugs |
| 14773197 | PubChem: Thomson Pharma |
| H5841PDT4Y | FDA SRS |
| 120-08-1 | ACToR |
| MTBLC9055 | Metabolights |
| MCULE-1591753422 | Mcule |
| SCHEMBL240777 | SureChEMBL |
| CHEMBL325864 | ChEMBL |
| C09311 | KEGG Ligand |
| 12015297 | PubChem: Drugs of the Future |
| POBZEO | CCDC |
| J5.319H | Nikkaji |
| 9055 | ChEBI |
| HY-N0228 | MedChemExpress |
| 50361374 | BindingDB |
| ZINC000000002067 | ZINC |
| DTXSID10152640 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |