Dataset

Rhynchophylline

This MassBank record with Accession MSBNK-RIKEN-PR300211 contains the MS2 mass spectrum of Rhynchophylline with the InChIkey DAXYUDFNWXHGBE-KAXDATADSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1
SMILES CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC)C(O)=NC1=CC=CC=C31
InChI Key DAXYUDFNWXHGBE-KAXDATADSA-N
Molecular Formula C22H28N2O4
Exact Mass 384.476 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-PR300211
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:38:19.084846
MetadataModified 2025-02-09T18:26:43.349692
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID70878612 EPA CompTox Dashboard
ZINC000004097968 ZINC
SCHEMBL2047380 SureChEMBL
46BQ79VJ8D FDA SRS
60064118 NMRShiftDB
15351316 PubChem: Thomson Pharma
24724878 PubChem: Thomson Pharma
PD088048 ProbesDrugs
C09236 KEGG Ligand
CHEMBL519266 ChEMBL
MTBLC70069 Metabolights
5281408 PubChem
70069 ChEBI
MUTYUV CCDC
HY-N0387 MedChemExpress
50251393 BindingDB
The data in this table is sourced from UniChem at EBI.