Dataset
![molecular Image]()
CINNAMALDEHYDE
Chemical Info
| InChI | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ |
|---|---|
| SMILES | O=CC=Cc(c1)cccc1 |
| InChI Key | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
| Molecular Formula | C9H8O |
| Exact Mass | 132.058 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP008705 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T15:57:49.967003 |
| MetadataModified | 2024-01-11T15:57:50.143493 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C00903 | KEGG Ligand |
| CHEMBL293492 | ChEMBL |
| 16731 | ChEBI |
| 12015677 | PubChem: Drugs of the Future |
| DB14184 | DrugBank |
| CB9168460 | ChemicalBook |
| 104879 | Brenda |
| 22972 | Brenda |
| 2225 | Brenda |
| 16653 | Brenda |
| 9Y6 | PDBe |
| 490948 | eMolecules |
| 107382 | Brenda |
| 104880 | Brenda |
| MTBLC16731 | Metabolights |
| CB1168459 | ChemicalBook |
| 16731 | Rhea |
| HMDB0003441 | Human Metabolome Database |
| 1071 | Brenda |
| 8441 | Brenda |
| 7168 | Brenda |
| 2423 | Guide to Pharmacology |
| CINNAMALDEHYDE | clinicaltrials |
| CINNAMIC ALDEHYDE | rxnorm |
| 228978 | Brenda |
| ZINC000001532777 | ZINC |
| 50203065 | BindingDB |
| DTXSID6024834 | EPA CompTox Dashboard |
| 260122 | Brenda |
| 260123 | Brenda |
| PD046487 | ProbesDrugs |
| SR60A3XG0F | FDA SRS |
| 637511 | PubChem |
| 104-55-2 | ACToR |
| 15194529 | PubChem: Thomson Pharma |
| 14371-10-9 | ACToR |
| SCHEMBL3441 | SureChEMBL |
| MCULE-5082013471 | Mcule |
| YADJUK | CCDC |
| 10005746 | NMRShiftDB |
| J2.850I | Nikkaji |
| J43.393D | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |