Dataset

Dehydroglaucine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81065 contains the MS mass spectrum of Dehydroglaucine with the InChIkey RZUHGAKUNBFQJS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H23NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h8-11H,6-7H2,1-5H3
SMILES CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC
InChI Key RZUHGAKUNBFQJS-UHFFFAOYSA-N
Molecular Formula C21H23NO4
Exact Mass 353.163 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-BML81065
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:19.396066
MetadataModified 2024-01-11T22:26:19.547722
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J413.411G Nikkaji
398788 PubChem
60059216 NMRShiftDB
99222092 PubChem: Thomson Pharma
22212-26-6 ACToR
SCHEMBL14029309 SureChEMBL
MCULE-9517315258 Mcule
DTXSID30176762 EPA CompTox Dashboard
WEGZUE CCDC
ZINC000001092562 ZINC
6854289 eMolecules
CHEMBL1412163 ChEMBL
The data in this table is sourced from UniChem at EBI.