Dataset

Galangin

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

Chemical Info

molecular Image
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

Metadata Information

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