Dataset
![molecular Image]()
Gallic acid annotated NMR 400 MHz DMSOd6 data.
Chemical Info
| InChI | InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12) |
|---|---|
| SMILES | O=C(O)C1=CC(O)=C(O)C(O)=C1 |
| InChI Key | LNTHITQWFMADLM-UHFFFAOYSA-N |
| Molecular Formula | C7H6O5 |
| Exact Mass | 170.120 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p33.s196.d924 |
| License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
| Source | https://nmrxiv.org/D924 |
| Version | |
| Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-05-15T09:35:10.211390 |
| MetadataModified | 2025-02-03T16:34:38.946922 |
| MetadataPublished | 2023-12-21 14:26:13 |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-1552954312 | Mcule |
| 20040802 | NMRShiftDB |
| 1973 | Brenda |
| 764 | Brenda |
| 4477 | Brenda |
| 5104 | Brenda |
| HMDB0005807 | Human Metabolome Database |
| CB0158671 | ChemicalBook |
| gallic acid | DailyMed |
| MTBLC30778 | Metabolights |
| 370 | PubChem |
| PD002145 | ProbesDrugs |
| 632XD903SP | FDA SRS |
| 15219485 | PubChem: Thomson Pharma |
| 149-91-7 | ACToR |
| GDE | PDBe |
| SCHEMBL15012 | SureChEMBL |
| 493996 | eMolecules |
| 50085536 | BindingDB |
| GALLIC ACID | DailyMed |
| GALLIC ACID | rxnorm |
| HY-N0523 | MedChemExpress |
| GALLIC ACID | clinicaltrials |
| IJUMEG | CCDC |
| DTXSID0020650 | EPA CompTox Dashboard |
| ZINC000000001504 | ZINC |
| 5549 | Guide to Pharmacology |
| J7.408J | Nikkaji |
| J3.065.593A | Nikkaji |
| LSM-37191 | LINCS |
| C01424 | KEGG Ligand |
| CHEMBL288114 | ChEMBL |
| 30778 | ChEBI |
| 12015396 | PubChem: Drugs of the Future |
| The data in this table is sourced from UniChem at EBI. | |