Dataset
![molecular Image]()
Boldine
Chemical Info
| InChI | InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O |
| InChI Key | LZJRNLRASBVRRX-ZDUSSCGKSA-N |
| Molecular Formula | C19H21NO4 |
| Exact Mass | 327.380 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-PR304995 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T19:28:36.279587 |
| MetadataModified | 2025-02-09T18:28:46.326185 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| HY-N6973 | MedChemExpress |
| 50202318 | BindingDB |
| ZINC000000135449 | ZINC |
| J312.540H | Nikkaji |
| 3148 | ChEBI |
| CB2167570 | ChemicalBook |
| CHEMBL388342 | ChEMBL |
| C09365 | KEGG Ligand |
| 16183941 | PubChem: Thomson Pharma |
| PD017294 | ProbesDrugs |
| SCHEMBL177550 | SureChEMBL |
| LSM-2047 | LINCS |
| 8I91GE2769 | FDA SRS |
| 1123008 | eMolecules |
| 10154 | PubChem |
| MCULE-6617451493 | Mcule |
| DTXSID40883394 | EPA CompTox Dashboard |
| 60004206 | NMRShiftDB |
| MTBLC3148 | Metabolights |
| 23564 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |