Dataset

Fisetin

This MassBank record with Accession MSBNK-Fiocruz-FIO00091 contains the MS2 mass spectrum of Fisetin with the InChIkey XHEFDIBZLJXQHF-UHFFFAOYSA-N.

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00091
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:35:27.836129
MetadataModified 2024-01-11T16:35:28.001556
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
LSM-6579 LINCS
fisetin Atlas
OO2ABO9578 FDA SRS
FISETIN clinicaltrials
PD001338 ProbesDrugs
528-48-3 ACToR
14922300 PubChem: Thomson Pharma
Fisetin(Fustel) Selleck
110309 Brenda
CB8451569 ChemicalBook
156717 Brenda
MTBLC42567 Metabolights
1257 Brenda
125032 Brenda
SCHEMBL39454 SureChEMBL
42567 ChEBI
MCULE-8216354240 Mcule
20096805 NMRShiftDB
5281614 PubChem
711423 eMolecules
J1.584I Nikkaji
7457 BindingDB
LMPK12111566 LipidMaps
ZINC000000039111 ZINC
5182 Guide to Pharmacology
DTXSID4022317 EPA CompTox Dashboard
92074 Brenda
HY-N0182 MedChemExpress
JOPVAN CCDC
DB07795 DrugBank
C10041 KEGG Ligand
CHEMBL31574 ChEMBL
FSE PDBe
12015309 PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.