Dataset
![molecular Image]()
Fusaric acid
Chemical Info
| InChI | InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13) |
|---|---|
| SMILES | CCCCC1=CN=C(C=C1)C(=O)O |
| InChI Key | DGMPVYSXXIOGJY-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.095 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000891 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:25:50.540787 |
| MetadataModified | 2024-01-11T09:25:50.694786 |
| MetadataPublished | 2017-07-07 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CB4689029 | ChemicalBook |
| 513892 | eMolecules |
| CQV | PDBe |
| WIPXAY | CCDC |
| 50000439 | BindingDB |
| 224590 | Brenda |
| ZINC000001531682 | ZINC |
| 5199 | ChEBI |
| MCULE-2488661517 | Mcule |
| DTXSID5023085 | EPA CompTox Dashboard |
| HY-128483 | MedChemExpress |
| J12.987I | Nikkaji |
| HMDB0252556 | Human Metabolome Database |
| 20128770 | NMRShiftDB |
| 3442 | PubChem |
| PD002714 | ProbesDrugs |
| JWJ963070N | FDA SRS |
| 15219650 | PubChem: Thomson Pharma |
| 536-69-6 | ACToR |
| SCHEMBL178006 | SureChEMBL |
| LSM-3944 | LINCS |
| CHEMBL24510 | ChEMBL |
| C10146 | KEGG Ligand |
| The data in this table is sourced from UniChem at EBI. | |