Dataset
Chelidonine
Chemical Info
InChI | InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1 |
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SMILES | CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6 |
InChI Key | GHKISGDRQRSCII-ZOCIIQOWSA-N |
Molecular Formula | C20H19NO5 |
Exact Mass | 353.126 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-BML80910 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:23.692356 |
MetadataModified | 2024-01-11T22:28:23.867331 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
16807750 | PubChem: Thomson Pharma |
14876357 | PubChem: Thomson Pharma |
197810 | PubChem |
60026149 | NMRShiftDB |
476-32-4 | ACToR |
8K7EK8446J | FDA SRS |
LSM-2715 | LINCS |
SCHEMBL563820 | SureChEMBL |
PD078837 | ProbesDrugs |
J5.974I | Nikkaji |
ZINC000030727894 | ZINC |
VIGFEW | CCDC |
4UDG3LY0GT | FDA SRS |
CB4502931 | ChemicalBook |
50480259 | BindingDB |
HY-N2369 | MedChemExpress |
MCULE-9582795993 | Mcule |
174640 | Brenda |
DTXSID10878474 | EPA CompTox Dashboard |
MTBLC31389 | Metabolights |
CB8347796 | ChemicalBook |
C12242 | KEGG Ligand |
CHEMBL496867 | ChEMBL |
31389 | ChEBI |
1935779 | eMolecules |
The data in this table is sourced from UniChem at EBI. |