Dataset
![molecular Image]()
Gentisic acid
Chemical Info
| InChI | InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) |
|---|---|
| SMILES | Oc(c1)cc(C(O)=O)c(O)c1 |
| InChI Key | WXTMDXOMEHJXQO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
| Exact Mass | 154.027 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000504 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:42:40.611593 |
| MetadataModified | 2025-02-09T20:25:44.143719 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C00628 | KEGG Ligand |
| CHEMBL1461 | ChEMBL |
| 17189 | ChEBI |
| GTQ | PDBe |
| 50335808 | BindingDB |
| BESKAL | CCDC |
| J6.046A | Nikkaji |
| ZINC000000001507 | ZINC |
| 3260 | DrugCentral |
| DTXSID4060078 | EPA CompTox Dashboard |
| GENTISIC ACID | rxnorm |
| HY-W001179 | MedChemExpress |
| 482486 | eMolecules |
| PD002127 | ProbesDrugs |
| 221726 | Brenda |
| VP36V95O3T | FDA SRS |
| LSM-19031 | LINCS |
| 3469 | PubChem |
| SCHEMBL3690 | SureChEMBL |
| 15265062 | PubChem: Thomson Pharma |
| 490-79-9 | ACToR |
| 21610 | Brenda |
| 6417 | Brenda |
| 2065 | Brenda |
| HMDB0000152 | Human Metabolome Database |
| CB5853669 | ChemicalBook |
| MTBLC17189 | Metabolights |
| MCULE-7171470745 | Mcule |
| 10009263 | NMRShiftDB |
| The data in this table is sourced from UniChem at EBI. | |