Dataset

Fisetin

This MassBank record with Accession MSBNK-Fiocruz-FIO00089 contains the MS2 mass spectrum of Fisetin with the InChIkey XHEFDIBZLJXQHF-UHFFFAOYSA-N.

InChI	InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
SMILES	Oc(c3)cc(O1)c(c3)C(=O)C(O)=C1c(c2)cc(O)c(O)c2
InChI Key	XHEFDIBZLJXQHF-UHFFFAOYSA-N
Molecular Formula	C15H10O6
Exact Mass	286.048 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00089
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:41:25.123242
MetadataModified	2024-01-11T16:41:25.321256
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
JOPVAN	CCDC
J1.584I	Nikkaji
5182	Guide to Pharmacology
20096805	NMRShiftDB
SCHEMBL39454	SureChEMBL
42567	ChEBI
MCULE-8216354240	Mcule
5281614	PubChem
PD001338	ProbesDrugs
FISETIN	clinicaltrials
OO2ABO9578	FDA SRS
14922300	PubChem: Thomson Pharma
LSM-6579	LINCS
528-48-3	ACToR
Fisetin(Fustel)	Selleck
fisetin	Atlas
1257	Brenda
MTBLC42567	Metabolights
110309	Brenda
CB8451569	ChemicalBook
125032	Brenda
156717	Brenda
7457	BindingDB
HY-N0182	MedChemExpress
92074	Brenda
ZINC000000039111	ZINC
DTXSID4022317	EPA CompTox Dashboard
LMPK12111566	LipidMaps
DB07795	DrugBank
C10041	KEGG Ligand
CHEMBL31574	ChEMBL
FSE	PDBe
12015309	PubChem: Drugs of the Future
711423	eMolecules
The data in this table is sourced from UniChem at EBI.