Dataset

Hesperetin

This MassBank record with Accession MSBNK-BS-BS003474 contains the MS2 mass spectrum of Hesperetin with the InChIkey AIONOLUJZLIMTK-AWEZNQCLSA-N.

Chemical Info

molecular Image
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 C(OC1=C(C(=C(C(=C1[H])[H])C2(C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])([H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key AIONOLUJZLIMTK-AWEZNQCLSA-N
Molecular Formula C16H14O6
Exact Mass 302.079 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-BS003474
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:03.609212
MetadataModified 2024-01-11T12:33:03.782915
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000039092 ZINC
1362 DrugCentral
LMPK12140003 LipidMaps
CB1724246 ChemicalBook
6JP PDBe
DTXSID4022319 EPA CompTox Dashboard
241674 Brenda
HY-N0168 MedChemExpress
23418 BindingDB
HESPERETIN rxnorm
10953 Guide to Pharmacology
124731 Brenda
MTBLC28230 Metabolights
144470 Brenda
2081 Brenda
HMDB0005782 Human Metabolome Database
207847 Brenda
28230 Rhea
CB4304735 ChemicalBook
520-33-2 ACToR
LSM-20933 LINCS
PD001966 ProbesDrugs
Q9Q3D557F1 FDA SRS
72281 PubChem
16889621 PubChem: Thomson Pharma
Hesperetin Selleck
PA164742902 PharmGKB
60022633 NMRShiftDB
KOCGIW CCDC
SCHEMBL39833 SureChEMBL
J9.235E Nikkaji
DB01094 DrugBank
CHEMBL399121 ChEMBL
28230 ChEBI
C01709 KEGG Ligand
538412 eMolecules
The data in this table is sourced from UniChem at EBI.