Dataset

Hesperetin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00291 contains the MS2 mass spectrum of Hesperetin with the InChIkey AIONOLUJZLIMTK-UHFFFAOYSA-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
SMILES COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI Key AIONOLUJZLIMTK-UHFFFAOYSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00291
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:15.641926
MetadataModified 2024-01-11T22:28:15.843884
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL88169 ChEMBL
60022028 NMRShiftDB
LSM-6444 LINCS
14873866 PubChem: Thomson Pharma
SCHEMBL765368 SureChEMBL
PD056258 ProbesDrugs
3593 PubChem
CANPOA CCDC
J294.471E Nikkaji
MCULE-9396529091 Mcule
CB92699300 ChemicalBook
HY-N0168A MedChemExpress
DTXSID80274404 EPA CompTox Dashboard
95167 ChEBI
HMDB0030746 Human Metabolome Database
766232 eMolecules
172907 Brenda
The data in this table is sourced from UniChem at EBI.