Dataset

Oxyacanthine

This MassBank record with Accession MSBNK-RIKEN-PR301799 contains the MS2 mass spectrum of Oxyacanthine with the InChIkey HGNHIFJNOKGSKI-FICMROCWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29?/m1/s1
SMILES COC1=C2OC3=C4C(CC5=CC=C(OC6=C(O)C=CC(C[C@H]7N(C)CCC(=C1)C7=C2)=C6)C=C5)N(C)CCC4=CC(OC)=C3OC
InChI Key HGNHIFJNOKGSKI-FICMROCWSA-N
Molecular Formula C37H40N2O6
Exact Mass 608.735 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-PR301799
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:24.054103
MetadataModified 2024-01-11T20:43:24.212985
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL2374739 ChEMBL
90662359 PubChem
The data in this table is sourced from UniChem at EBI.