Dataset
![molecular Image]()
Gramine
Chemical Info
| InChI | InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3 |
|---|---|
| SMILES | CN(C)CC1=CNC2=CC=CC=C12 |
| InChI Key | OCDGBSUVYYVKQZ-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2 |
| Exact Mass | 174.247 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-PR300981 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:39:42.886941 |
| MetadataModified | 2024-01-11T20:39:43.069682 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL254348 | ChEMBL |
| C08304 | KEGG Ligand |
| 538596 | eMolecules |
| 6890 | PubChem |
| PD000681 | ProbesDrugs |
| FGQ8A78L14 | FDA SRS |
| 15437801 | PubChem: Thomson Pharma |
| SCHEMBL63578 | SureChEMBL |
| Gramine | Selleck |
| LSM-6572 | LINCS |
| J10.618F | Nikkaji |
| MCULE-3643815953 | Mcule |
| 10017643 | NMRShiftDB |
| HY-N0166 | MedChemExpress |
| ZINC000000073686 | ZINC |
| COMWUW | CCDC |
| 28948 | ChEBI |
| DTXSID3058955 | EPA CompTox Dashboard |
| MTBLC28948 | Metabolights |
| CB7342118 | ChemicalBook |
| HMDB0035762 | Human Metabolome Database |
| 215829 | Brenda |
| 117549 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |