Dataset

Naringenin-7-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR302700 contains the MS2 mass spectrum of Naringenin-7-O-glucoside with the InChIkey DLIKSSGEMUFQOK-SFTVRKLSSA-N.

Chemical Info

InChI	InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1
SMILES	OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C[C@H](OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key	DLIKSSGEMUFQOK-SFTVRKLSSA-N
Molecular Formula	C21H22O10
Exact Mass	434.397 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302700
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:42:59.835658
MetadataModified	2024-01-11T20:43:00.001390
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C09099	KEGG Ligand
CHEMBL469654	ChEMBL
28327	ChEBI
30512511	eMolecules
PD127306	ProbesDrugs
163470660	PubChem: Thomson Pharma
92794	PubChem
60021910	NMRShiftDB
LMPK12140237	LipidMaps
SCHEMBL318229	SureChEMBL
50249470	BindingDB
J182.295K	Nikkaji
ZINC000004097895	ZINC
28327	Rhea
HY-N1549	MedChemExpress
9343	Brenda
17639	Brenda
211876	Brenda
123352	Brenda
MTBLC28327	Metabolights
141761	Brenda
CB7111523	ChemicalBook
48192	Brenda
110452	Brenda
25127	Brenda
20486	Brenda
The data in this table is sourced from UniChem at EBI.