Dataset

Quercetin-3-O-galactoside

This MassBank record with Accession MSBNK-RIKEN-PR306431 contains the MS2 mass spectrum of Quercetin-3-O-galactoside with the InChIkey OVSQVDMCBVZWGM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2
SMILES OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
InChI Key OVSQVDMCBVZWGM-UHFFFAOYSA-N
Molecular Formula C21H20O12
Exact Mass 464.379 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-PR306431
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:22:16.630504
MetadataModified 2025-02-09T18:24:08.819929
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL33027 ChEMBL
513096 BindingDB
HMDB0247252 Human Metabolome Database
SCHEMBL2286562 SureChEMBL
482-36-0 ACToR
60023992 NMRShiftDB
PD056278 ProbesDrugs
4831391 eMolecules
5378597 PubChem
MCULE-8277123978 Mcule
The data in this table is sourced from UniChem at EBI.