Dataset
![molecular Image]()
Tectorigenin
Chemical Info
| InChI | InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3 |
|---|---|
| SMILES | COC1=C(O)C2=C(OC=C(C2=O)C2=CC=C(O)C=C2)C=C1O |
| InChI Key | OBBCRPUNCUPUOS-UHFFFAOYSA-N |
| Molecular Formula | C16H12O6 |
| Exact Mass | 300.266 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-PR303685 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T19:48:40.258309 |
| MetadataModified | 2025-02-09T18:27:08.205809 |
| MetadataPublished | 2019-03-28 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL242740 | ChEMBL |
| C10534 | KEGG Ligand |
| 12015584 | PubChem: Drugs of the Future |
| LMPK12050385 | LipidMaps |
| DTXSID50203286 | EPA CompTox Dashboard |
| MCULE-2089260732 | Mcule |
| 9429 | ChEBI |
| HY-N0792 | MedChemExpress |
| 50241222 | BindingDB |
| IFUPOP | CCDC |
| J6.452A | Nikkaji |
| 5281811 | PubChem |
| 60029788 | NMRShiftDB |
| R0U | PDBe |
| 14849529 | PubChem: Thomson Pharma |
| 855130H9CO | FDA SRS |
| 548-77-6 | ACToR |
| PD065304 | ProbesDrugs |
| 5757342 | eMolecules |
| SCHEMBL351641 | SureChEMBL |
| 144039 | Brenda |
| HMDB0042024 | Human Metabolome Database |
| 9738 | Guide to Pharmacology |
| CB11040716 | ChemicalBook |
| ZINC000000899915 | ZINC |
| MTBLC9429 | Metabolights |
| The data in this table is sourced from UniChem at EBI. | |