Dataset
![molecular Image]()
Sakuranetin
Chemical Info
| InChI | InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 |
|---|---|
| SMILES | COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1 |
| InChI Key | DJOJDHGQRNZXQQ-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-PR302375 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:39:40.449167 |
| MetadataModified | 2024-01-11T20:39:40.600531 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL448297 | ChEMBL |
| DB08517 | DrugBank |
| C09833 | KEGG Ligand |
| SAK | PDBe |
| 28927 | ChEBI |
| SAKURANETIN | rxnorm |
| BUVNEN | CCDC |
| 50312648 | BindingDB |
| ZINC000000338284 | ZINC |
| HY-N3006 | MedChemExpress |
| LMPK12140571 | LipidMaps |
| MCULE-1297538743 | Mcule |
| MTBLC28927 | Metabolights |
| 28927 | Rhea |
| CB6284820 | ChemicalBook |
| HMDB0030090 | Human Metabolome Database |
| 170506 | Brenda |
| 52901 | Brenda |
| 84076 | Brenda |
| 163689 | Brenda |
| 73571 | PubChem |
| 60022386 | NMRShiftDB |
| 26746503 | PubChem: Thomson Pharma |
| SCHEMBL555542 | SureChEMBL |
| PD004784 | ProbesDrugs |
| 412 | Guide to Pharmacology |
| 3O38P61299 | FDA SRS |
| J7.652J | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |