Dataset

Glabranine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81301 contains the MS mass spectrum of Glabranine with the InChIkey DAWSYIQAGQMLFS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3
SMILES CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)O)C
InChI Key DAWSYIQAGQMLFS-UHFFFAOYSA-N
Molecular Formula C20H20O4
Exact Mass 324.136 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-BML81301
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:20.625735
MetadataModified 2024-01-11T22:26:20.789976
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3144815 PubChem
70050435 NMRShiftDB
56468500 PubChem: Thomson Pharma
SCHEMBL320135 SureChEMBL
MCULE-9858151978 Mcule
CHEMBL488888 ChEMBL
1410948 eMolecules
The data in this table is sourced from UniChem at EBI.