Dataset
![molecular Image]()
trans-Resveratrol annotated NMR 400 MHz DMSOd6 data.
Chemical Info
| InChI | InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+ |
|---|---|
| SMILES | OC1=CC=C(/C=C/C2=CC(O)=CC(O)=C2)C=C1 |
| InChI Key | LUKBXSAWLPMMSZ-OWOJBTEDSA-N |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.240 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p33.s199.d958 |
| License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
| Source | https://nmrxiv.org/D958 |
| Version | |
| Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-05-15T09:37:25.717446 |
| MetadataModified | 2024-09-23T09:38:15.348754 |
| MetadataPublished | 2023-12-21 14:26:13 |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 31100-06-8 | ACToR |
| 14822845 | PubChem: Thomson Pharma |
| 501-36-0 | ACToR |
| Q369O8926L | FDA SRS |
| resveratrol | Atlas |
| PD001353 | ProbesDrugs |
| TRANS-RESVERATROL | clinicaltrials |
| SCHEMBL19425 | SureChEMBL |
| Resveratrol | Selleck |
| 445154 | PubChem |
| 193055 | Brenda |
| 154437 | Brenda |
| 799 | Brenda |
| 91278 | Brenda |
| 11594 | Brenda |
| SAM001246888 | NIH Clinical Collection |
| 45713 | Rhea |
| CB7325012 | ChemicalBook |
| 153447 | Brenda |
| PA165291838 | PharmGKB |
| 214951 | Brenda |
| MTBLC45713 | Metabolights |
| HMDB0003747 | Human Metabolome Database |
| 45713 | ChEBI |
| 21968 | NMRShiftDB |
| STL | PDBe |
| 12015089 | PubChem: Drugs of the Future |
| DB02709 | DrugBank |
| C03582 | KEGG Ligand |
| CHEMBL165 | ChEMBL |
| 23926 | BindingDB |
| CB32735437 | ChemicalBook |
| DALGON | CCDC |
| 230158 | Brenda |
| 230159 | Brenda |
| RESVERATROL | rxnorm |
| BIA-6-512 | clinicaltrials |
| BIA 6-512 | clinicaltrials |
| RESVERATROL | clinicaltrials |
| HY-16561 | MedChemExpress |
| 8741 | Guide to Pharmacology |
| ZINC000000006787 | ZINC |
| LSM-42917 | LINCS |
| MCULE-5678456463 | Mcule |
| DTXSID4031980 | EPA CompTox Dashboard |
| LMPK13090005 | LipidMaps |
| J524.694F | Nikkaji |
| J11.775G | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |