Dataset
Cinchonine
Chemical Info
InChI | InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19-/m0/s1 |
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SMILES | C=C[C@@H](C3)[C@@H](C4)C[C@@]([H])(N(C4)3)[C@@H](O)c(c1)c(c2)c(ccc2)nc1 |
InChI Key | KMPWYEUPVWOPIM-QAMTZSDWSA-N |
Molecular Formula | C19H22N2O |
Exact Mass | 294.173 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00478 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:35:11.815010 |
MetadataModified | 2024-01-11T16:35:11.988118 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
29390005 | eMolecules |
MTBLC27509 | Metabolights |
V43X79NZCD | FDA SRS |
14824982 | PubChem: Thomson Pharma |
PD046021 | ProbesDrugs |
60032698 | NMRShiftDB |
14800210 | PubChem: Thomson Pharma |
SCHEMBL158394 | SureChEMBL |
90454 | PubChem |
MCULE-5498373209 | Mcule |
1012601 | eMolecules |
30316123 | eMolecules |
CHEMBL588619 | ChEMBL |
27509 | ChEBI |
CINCHO | CCDC |
J2.475I | Nikkaji |
HY-Y0152 | MedChemExpress |
ZINC000003881680 | ZINC |
50370411 | BindingDB |
The data in this table is sourced from UniChem at EBI. |