Dataset

Naringenin-7-O-glucoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR302725 contains the MS2 mass spectrum of Naringenin-7-O-glucoside with the InChIkey DLIKSSGEMUFQOK-SFTVRKLSSA-N.

Chemical Information

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 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

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-PR302725
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92794 PubChem
    60021910 NMRShiftDB
    163470660 PubChem: Thomson Pharma
    PD127306 ProbesDrugs
    LMPK12140237 LipidMaps
    30512511 eMolecules
    MTBLC28327 Metabolights
    20486 Brenda
    17639 Brenda
    9343 Brenda
    48192 Brenda
    ZINC000004097895 ZINC
    25127 Brenda
    211876 Brenda
    141761 Brenda
    123352 Brenda
    CB7111523 ChemicalBook
    110452 Brenda
    SCHEMBL318229 SureChEMBL
    28327 Rhea
    HY-N1549 MedChemExpress
    50249470 BindingDB
    J182.295K Nikkaji
    C09099 KEGG Ligand
    CHEMBL469654 ChEMBL
    28327 ChEBI
    The data in this table is sourced from UniChem at EBI.