Dataset
Corynanthine
Chemical Info
InChI | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1 |
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SMILES | COC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O |
InChI Key | BLGXFZZNTVWLAY-DKJBZYCGSA-N |
Molecular Formula | C21H26N2O3 |
Exact Mass | 354.194 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00570 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:22.079993 |
MetadataModified | 2024-01-11T22:28:22.242631 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
60026221 | NMRShiftDB |
16831155 | PubChem: Thomson Pharma |
PD051114 | ProbesDrugs |
F5Z7C9RK8U | FDA SRS |
92766 | PubChem |
LSM-2124 | LINCS |
5345 | Guide to Pharmacology |
SCHEMBL178061 | SureChEMBL |
J5.984F | Nikkaji |
92122 | ChEBI |
ZINC000003861548 | ZINC |
50027058 | BindingDB |
CB0387136 | ChemicalBook |
MTBLC92122 | Metabolights |
CHEMBL31410 | ChEMBL |
536008 | eMolecules |
The data in this table is sourced from UniChem at EBI. |