Dataset
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. |