Dataset
![molecular Image]()
Umbelliferone
Chemical Info
| InChI | InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H |
|---|---|
| SMILES | C1(=C(C(=C(C2=C1C(=C(C(=O)O2)[H])[H])[H])O[H])[H])[H] |
| InChI Key | ORHBXUUXSCNDEV-UHFFFAOYSA-N |
| Molecular Formula | C9H6O3 |
| Exact Mass | 162.032 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-BS-BS003401 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T12:33:46.622237 |
| MetadataModified | 2025-02-09T08:54:15.512427 |
| MetadataPublished | 2017-12-01 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MTBLC27510 | Metabolights |
| 93645 | Brenda |
| 4113 | Brenda |
| 2505 | Brenda |
| 167421 | Brenda |
| HMDB0029865 | Human Metabolome Database |
| 27510 | Rhea |
| MCULE-5007617058 | Mcule |
| 10016208 | NMRShiftDB |
| SCHEMBL22018 | SureChEMBL |
| 5281426 | PubChem |
| PD002087 | ProbesDrugs |
| 60Z60NTL4G | FDA SRS |
| 07L | PDBe |
| 15321753 | PubChem: Thomson Pharma |
| hcoumarin | Recon |
| 93-35-6 | ACToR |
| LSM-3960 | LINCS |
| 533086 | eMolecules |
| CHEMBL51628 | ChEMBL |
| 87550949 | PubChem: Drugs of the Future |
| C09315 | KEGG Ligand |
| 27510 | ChEBI |
| DETFOX | CCDC |
| J4.673F | Nikkaji |
| DTXSID5052626 | EPA CompTox Dashboard |
| ZINC000000058111 | ZINC |
| HY-N0573 | MedChemExpress |
| 50174558 | BindingDB |
| CB1854673 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |