Dataset
![molecular Image]()
Acacetin
Chemical Info
| InChI | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1 |
| InChI Key | DANYIYRPLHHOCZ-UHFFFAOYSA-N |
| Molecular Formula | C16H12O5 |
| Exact Mass | 284.267 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-PR302119 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:08:04.686315 |
| MetadataModified | 2025-02-09T18:31:48.297072 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| SCHEMBL107712 | SureChEMBL |
| ZINC000003871358 | ZINC |
| CB9316535 | ChemicalBook |
| 14039 | Brenda |
| 4661 | Brenda |
| 125030 | Brenda |
| MTBLC15335 | Metabolights |
| 474250 | eMolecules |
| 5280442 | PubChem |
| 60022381 | NMRShiftDB |
| 15369193 | PubChem: Thomson Pharma |
| KWI7J0A2CC | FDA SRS |
| LSM-6662 | LINCS |
| 480-44-4 | ACToR |
| PD037100 | ProbesDrugs |
| 56310581 | PubChem: Drugs of the Future |
| CHEMBL243664 | ChEMBL |
| C01470 | KEGG Ligand |
| LMPK12110468 | LipidMaps |
| 23415 | BindingDB |
| HY-N0451 | MedChemExpress |
| J6.166B | Nikkaji |
| DTXSID00197383 | EPA CompTox Dashboard |
| 91589 | Brenda |
| MCULE-8773156096 | Mcule |
| DAXMFV | CCDC |
| 15335 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |