Dataset

Galangin

This MassBank record with Accession MSBNK-BS-BS003694 contains the MS2 mass spectrum of Galangin with the InChIkey VCCRNZQBSJXYJD-UHFFFAOYSA-N.

InChI	InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
SMILES	C1(=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])[H])[H]
InChI Key	VCCRNZQBSJXYJD-UHFFFAOYSA-N
Molecular Formula	C15H10O5
Exact Mass	270.053 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003694
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:34:54.614837
MetadataModified	2024-01-11T12:34:54.799204
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C10044	KEGG Ligand
CHEMBL309490	ChEMBL
5262	ChEBI
410	Guide to Pharmacology
J1.607A	Nikkaji
ZINC000000120273	ZINC
LMPK12111653	LipidMaps
DTXSID70203288	EPA CompTox Dashboard
MCULE-8693579543	Mcule
HY-N0382	MedChemExpress
50049391	BindingDB
HERYOW	CCDC
5281616	PubChem
SCHEMBL117225	SureChEMBL
494438	eMolecules
125031	Brenda
2110	Brenda
156716	Brenda
MTBLC5262	Metabolights
HMDB0029521	Human Metabolome Database
CB8413460	ChemicalBook
60015864	NMRShiftDB
14799261	PubChem: Thomson Pharma
KMC	PDBe
142FWE6ECS	FDA SRS
548-83-4	ACToR
PD001197	ProbesDrugs
The data in this table is sourced from UniChem at EBI.