Dataset

Naringenin-7-O-glucoside

This MassBank record with Accession MSBNK-BS-BS003366 contains the MS2 mass spectrum of Naringenin-7-O-glucoside with the InChIkey DLIKSSGEMUFQOK-SFTVRKLSSA-N.

Chemical Info

molecular Image
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 C1([C@]([H])(OC2=C(C(=C(C(=C2C1=O)O[H])[H])O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O3)C(O[H])([H])[H])O[H])O[H])O[H])[H])C4=C(C(=C(C(=C4[H])[H])O[H])[H])[H])([H])[H]
InChI Key DLIKSSGEMUFQOK-SFTVRKLSSA-N
Molecular Formula C21H22O10
Exact Mass 434.121 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-BS003366
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:37:58.635525
MetadataModified 2024-01-11T12:37:58.794197
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL318229 SureChEMBL
PD127306 ProbesDrugs
LMPK12140237 LipidMaps
92794 PubChem
60021910 NMRShiftDB
163470660 PubChem: Thomson Pharma
MTBLC28327 Metabolights
20486 Brenda
17639 Brenda
110452 Brenda
123352 Brenda
25127 Brenda
9343 Brenda
48192 Brenda
141761 Brenda
211876 Brenda
CB7111523 ChemicalBook
30512511 eMolecules
50249470 BindingDB
J182.295K Nikkaji
HY-N1549 MedChemExpress
28327 Rhea
ZINC000004097895 ZINC
C09099 KEGG Ligand
CHEMBL469654 ChEMBL
28327 ChEBI
The data in this table is sourced from UniChem at EBI.