Dataset

Chelidonine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80910 contains the MS mass spectrum of Chelidonine with the InChIkey GHKISGDRQRSCII-ZOCIIQOWSA-N.

Chemical Info

molecular Image
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
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
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
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.