Dataset
![molecular Image]()
Daphnetin
Chemical Info
| InChI | InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H |
|---|---|
| SMILES | OC1=CC=C2C=CC(=O)OC2=C1O |
| InChI Key | ATEFPOUAMCWAQS-UHFFFAOYSA-N |
| Molecular Formula | C9H6O4 |
| Exact Mass | 178.027 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA000837 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T19:15:54.630176 |
| MetadataModified | 2025-02-09T17:08:58.346706 |
| MetadataPublished | 2019-07-31 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-9549774136 | Mcule |
| 20039281 | NMRShiftDB |
| CB0410069 | ChemicalBook |
| 29646 | Brenda |
| 17313 | Rhea |
| 193148 | Brenda |
| 8088 | Brenda |
| 486-35-1 | ACToR |
| 14772689 | PubChem: Thomson Pharma |
| Daphnetin | Selleck |
| SCHEMBL128212 | SureChEMBL |
| PD001265 | ProbesDrugs |
| XC84571RD2 | FDA SRS |
| LSM-3366 | LINCS |
| 5280569 | PubChem |
| 525016 | eMolecules |
| CHEMBL244948 | ChEMBL |
| 17313 | ChEBI |
| C03093 | KEGG Ligand |
| DTXSID00197560 | EPA CompTox Dashboard |
| DAPHET | CCDC |
| J6.008I | Nikkaji |
| ZINC000000057753 | ZINC |
| 50206006 | BindingDB |
| HY-N0281 | MedChemExpress |
| The data in this table is sourced from UniChem at EBI. | |