Dataset
![molecular Image]()
Harmine
Chemical Info
| InChI | InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 |
|---|---|
| SMILES | COC1=CC=C2C(NC3=C2C=CN=C3C)=C1 |
| InChI Key | BXNJHAXVSOCGBA-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O |
| Exact Mass | 212.252 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-RIKEN-PR310554 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:42:34.805730 |
| MetadataModified | 2024-01-11T20:42:34.969180 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL269538 | ChEMBL |
| HRM | PDBe |
| 28121 | ChEBI |
| C06538 | KEGG Ligand |
| DB07919 | DrugBank |
| 12015642 | PubChem: Drugs of the Future |
| 100152 | BindingDB |
| HY-N0737A | MedChemExpress |
| DTXSID30196066 | EPA CompTox Dashboard |
| HARMIN | CCDC |
| J11.378F | Nikkaji |
| 9352 | Guide to Pharmacology |
| CB7123131 | ChemicalBook |
| 5280953 | PubChem |
| 15439029 | PubChem: Thomson Pharma |
| SCHEMBL292955 | SureChEMBL |
| LSM-5451 | LINCS |
| 4FHH5G48T7 | FDA SRS |
| HARMINE | clinicaltrials |
| PD001545 | ProbesDrugs |
| 494767 | eMolecules |
| 216758 | Brenda |
| ZINC000018847046 | ZINC |
| HMDB0030311 | Human Metabolome Database |
| 216759 | Brenda |
| MTBLC28121 | Metabolights |
| 6774 | Brenda |
| MCULE-9544425288 | Mcule |
| 10018937 | NMRShiftDB |
| The data in this table is sourced from UniChem at EBI. | |