Dataset
![molecular Image]()
Caffeic acid
Chemical Info
| InChI | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O)O)O |
| InChI Key | QAIPRVGONGVQAS-DUXPYHPUSA-N |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80858 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:24:58.810492 |
| MetadataModified | 2024-01-11T22:24:58.966931 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL145 | ChEMBL |
| DB01880 | DrugBank |
| C01481 | KEGG Ligand |
| 16433 | ChEBI |
| DHC | PDBe |
| C01197 | KEGG Ligand |
| 22395875 | PubChem: Drugs of the Future |
| 476446 | eMolecules |
| CAFFEIC ACID | DailyMed |
| CAFFEIC ACID | rxnorm |
| CB2281063 | ChemicalBook |
| CAFFEIC ACID | clinicaltrials |
| HY-N0172 | MedChemExpress |
| ZINC000000058172 | ZINC |
| LSM-43168 | LINCS |
| 426 | Brenda |
| 4375 | BindingDB |
| 689043 | PubChem |
| CB6281061 | ChemicalBook |
| 202162 | Brenda |
| 11723 | Brenda |
| 109669 | Brenda |
| 12328 | Brenda |
| 12329 | Brenda |
| 166229 | Brenda |
| 1276 | Brenda |
| 10495 | Brenda |
| MTBLC16433 | Metabolights |
| FESNOG | CCDC |
| MCULE-7843599914 | Mcule |
| 20039649 | NMRShiftDB |
| 5155 | Guide to Pharmacology |
| J309.143K | Nikkaji |
| J1.524E | Nikkaji |
| HMDB0001964 | Human Metabolome Database |
| PD000777 | ProbesDrugs |
| U2S3A33KVM | FDA SRS |
| 501-16-6 | ACToR |
| 15171314 | PubChem: Thomson Pharma |
| SCHEMBL23358 | SureChEMBL |
| Caffeic-acid | Selleck |
| 71693-97-5 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |