Dataset
![molecular Image]()
Harman
Chemical Info
| InChI | InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3 |
|---|---|
| SMILES | CC1=NC=CC2=C1NC3=CC=CC=C23 |
| InChI Key | PSFDQSOCUJVVGF-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2 |
| Exact Mass | 182.084 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00113 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:43:24.524629 |
| MetadataModified | 2024-01-11T16:43:24.713853 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C09209 | KEGG Ligand |
| CHEMBL12014 | ChEMBL |
| 5623 | ChEBI |
| 477806 | eMolecules |
| SCHEMBL141723 | SureChEMBL |
| MCULE-7967173312 | Mcule |
| ZZZTDW | CCDC |
| J1.550D | Nikkaji |
| 10018197 | NMRShiftDB |
| CN9 | PDBe |
| PD001546 | ProbesDrugs |
| 82D6J0535P | FDA SRS |
| 15120650 | PubChem: Thomson Pharma |
| C09209 | Recon |
| 486-84-0 | ACToR |
| LSM-19989 | LINCS |
| 5281404 | PubChem |
| 5773 | Brenda |
| HMDB0035196 | Human Metabolome Database |
| CB9698060 | ChemicalBook |
| MTBLC5623 | Metabolights |
| 5155 | Brenda |
| 50013786 | BindingDB |
| HY-101392 | MedChemExpress |
| ZINC000006069162 | ZINC |
| DTXSID80197568 | EPA CompTox Dashboard |
| The data in this table is sourced from UniChem at EBI. | |