Dataset
![molecular Image]()
isosakuranetin
Chemical Info
| InChI | InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1 |
| InChI Key | HMUJXQRRKBLVOO-AWEZNQCLSA-N |
| Molecular Formula | C16H14O5 |
| Exact Mass | 286.283 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-PR302335 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T19:39:31.071976 |
| MetadataModified | 2025-02-09T18:33:47.570255 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 50325673 | BindingDB |
| 248297 | Brenda |
| J12.391I | Nikkaji |
| ZINC000002146973 | ZINC |
| MCULE-6964743359 | Mcule |
| IHAGUW | CCDC |
| HY-N2131 | MedChemExpress |
| LMPK12140355 | LipidMaps |
| 10299 | Guide to Pharmacology |
| CHEMBL470266 | ChEMBL |
| C05334 | KEGG Ligand |
| U02X7TF8UA | FDA SRS |
| MTBLC27552 | Metabolights |
| 1935877 | eMolecules |
| 160481 | PubChem |
| 60022385 | NMRShiftDB |
| SCHEMBL676015 | SureChEMBL |
| 480-43-3 | ACToR |
| 27552 | ChEBI |
| PD078842 | ProbesDrugs |
| The data in this table is sourced from UniChem at EBI. | |