Dataset

Naringenin

This MassBank record with Accession MSBNK-BS-BS003029 contains the MS2 mass spectrum of Naringenin with the InChIkey FTVWIRXFELQLPI-ZDUSSCGKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
SMILES C1([C@]([H])(OC2=C(C(=C(C(=C2C1=O)O[H])[H])O[H])[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])([H])[H]
InChI Key FTVWIRXFELQLPI-ZDUSSCGKSA-N
Molecular Formula C15H12O5
Exact Mass 272.068 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-BS003029
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:10.678327
MetadataModified 2024-01-11T12:33:10.842593
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB03467 DrugBank
C00509 KEGG Ligand
CHEMBL9352 ChEMBL
NAR PDBe
17846 ChEBI
12015491 PubChem: Drugs of the Future
ZINC000000156701 ZINC
LMPK12140001 LipidMaps
DTXSID1022392 EPA CompTox Dashboard
HY-N0100 MedChemExpress
NARINGENIN rxnorm
J325.849A Nikkaji
23419 BindingDB
AYUJAH CCDC
SCHEMBL20570 SureChEMBL
1016027 eMolecules
439246 PubChem
60021691 NMRShiftDB
PD001602 ProbesDrugs
16584015 PubChem: Thomson Pharma
480-41-1 ACToR
Naringenin Selleck
HN5425SBF2 FDA SRS
586 Brenda
56282 Brenda
163690 Brenda
75681 Brenda
128092 Brenda
HMDB0002670 Human Metabolome Database
17846 Rhea
LSM-45876 LINCS
PA151958361 PharmGKB
MTBLC17846 Metabolights
2699 Brenda
103754 Brenda
The data in this table is sourced from UniChem at EBI.