Dataset
![molecular Image]()
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
| InChI | InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 |
|---|---|
| SMILES | NCCc1ccc(cc1)O |
| InChI Key | DZGWFCGJZKJUFP-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.179 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/DZGWFCGJZKJUFP-UHFFFAOYSA-N/CHMO0001150 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/DZGWFCGJZKJUFP-UHFFFAOYSA-N/CHMO0001150 |
| Version | |
| Author | Grace Hunt |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:13:59.362553 |
| MetadataModified | 2024-09-08T04:13:59.362560 |
| MetadataPublished | 2024-07-16 |
| Field | Value |
|---|---|
| Measurement Technique | 1H–1H correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| PD002144 | ProbesDrugs |
| X8ZC7V0OX3 | FDA SRS |
| 15321440 | PubChem: Thomson Pharma |
| 51-67-2 | ACToR |
| LSM-19016 | LINCS |
| 5610 | PubChem |
| MCULE-3986856320 | Mcule |
| SCHEMBL4111 | SureChEMBL |
| 20032299 | NMRShiftDB |
| J4.123H | Nikkaji |
| SENJEC | CCDC |
| CB7152784 | ChemicalBook |
| HMDB0000306 | Human Metabolome Database |
| 48679 | Brenda |
| 22261 | Brenda |
| 280 | Brenda |
| 7267 | Brenda |
| MTBLC15760 | Metabolights |
| 142674 | Brenda |
| ZINC000000002233 | ZINC |
| 2784 | DrugCentral |
| 29135 | BindingDB |
| DTXSID2043874 | EPA CompTox Dashboard |
| DB08841 | DrugBank |
| TYRAMINE | DailyMed |
| HY-W007606 | MedChemExpress |
| TYRAMINE | clinicaltrials |
| TYRAMINE | rxnorm |
| C00483 | KEGG Ligand |
| 2150 | Guide to Pharmacology |
| CHEMBL11608 | ChEMBL |
| AEF | PDBe |
| 15760 | ChEBI |
| 2148 | Guide to Pharmacology |
| 533064 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |