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