Dataset

Hesperetin

This MassBank record with Accession MSBNK-RIKEN-PR302864 contains the MS2 mass spectrum of Hesperetin with the InChIkey AIONOLUJZLIMTK-AWEZNQCLSA-N.

InChI	InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
SMILES	COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
InChI Key	AIONOLUJZLIMTK-AWEZNQCLSA-N
Molecular Formula	C16H14O6
Exact Mass	302.282 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-RIKEN-PR302864
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:41:35.818937
MetadataModified	2025-02-09T17:53:53.838188
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
520-33-2	ACToR
LSM-20933	LINCS
PD001966	ProbesDrugs
Q9Q3D557F1	FDA SRS
72281	PubChem
16889621	PubChem: Thomson Pharma
Hesperetin	Selleck
PA164742902	PharmGKB
60022633	NMRShiftDB
538412	eMolecules
2081	Brenda
144470	Brenda
MTBLC28230	Metabolights
124731	Brenda
CB4304735	ChemicalBook
207847	Brenda
HMDB0005782	Human Metabolome Database
28230	Rhea
SCHEMBL39833	SureChEMBL
6JP	PDBe
ZINC000000039092	ZINC
10953	Guide to Pharmacology
DTXSID4022319	EPA CompTox Dashboard
1362	DrugCentral
LMPK12140003	LipidMaps
23418	BindingDB
HESPERETIN	rxnorm
241674	Brenda
J9.235E	Nikkaji
HY-N0168	MedChemExpress
KOCGIW	CCDC
CB1724246	ChemicalBook
DB01094	DrugBank
CHEMBL399121	ChEMBL
28230	ChEBI
C01709	KEGG Ligand
The data in this table is sourced from UniChem at EBI.