Dataset
![molecular Image]()
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
| InChI | InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3 |
|---|---|
| SMILES | COc1ccc(cc1)C=O |
| InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
| Exact Mass | 136.148 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/ZRSNZINYAWTAHE-UHFFFAOYSA-N/CHMO0001150 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/ZRSNZINYAWTAHE-UHFFFAOYSA-N/CHMO0001150 |
| Version | |
| Author | Grace Hunt |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:26:25.304756 |
| MetadataModified | 2024-09-08T04:26:25.304761 |
| MetadataPublished | 2024-08-07 |
| Field | Value |
|---|---|
| Measurement Technique | 1H–1H correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 4039 | Brenda |
| 8164 | Brenda |
| CB7491195 | ChemicalBook |
| 55802 | Brenda |
| MTBLC28235 | Metabolights |
| HMDB0029686 | Human Metabolome Database |
| 137028 | Brenda |
| 28235 | ChEBI |
| 2471 | Brenda |
| 137101 | Brenda |
| 124483 | Brenda |
| 1016 | Brenda |
| 14732 | Brenda |
| YADJIY | CCDC |
| 50139370 | BindingDB |
| P-ANISALDEHYDE | rxnorm |
| HY-Y0740 | MedChemExpress |
| ZINC000000157146 | ZINC |
| DTXSID2026997 | EPA CompTox Dashboard |
| 15321422 | PubChem: Thomson Pharma |
| 31244 | PubChem |
| PD000895 | ProbesDrugs |
| SCHEMBL1100 | SureChEMBL |
| 50984-52-6 | ACToR |
| 123-11-5 | ACToR |
| 9PA5V6656V | FDA SRS |
| J3.618H | Nikkaji |
| 10008947 | NMRShiftDB |
| MCULE-9537754812 | Mcule |
| CHEMBL161598 | ChEMBL |
| C10761 | KEGG Ligand |
| 477886 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |