Dataset

6,4'-Dimethoxyisoflavone-7-glucoside (Wistin); LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003443 contains the MS2 mass spectrum of 6,4'-Dimethoxyisoflavone-7-glucoside (Wistin) with the InChIkey YLYJXNTZVUEFJZ-DODNOZFWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)14-10-31-15-8-17(16(30-2)7-13(15)19(14)25)32-23-22(28)21(27)20(26)18(9-24)33-23/h3-8,10,18,20-24,26-28H,9H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C2=C(OC3=C(C(=C(C(=C3C2=O)[H])OC([H])([H])[H])O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O4)C(O[H])([H])[H])O[H])O[H])O[H])[H])[H])[H])[H])([H])([H])[H]
InChI Key YLYJXNTZVUEFJZ-DODNOZFWSA-N
Molecular Formula C23H24O10
Exact Mass 460.137 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-BS003443
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL464707 ChEMBL
    J15.853D Nikkaji
    HY-N9333 MedChemExpress
    ZINC000034208990 ZINC
    10095770 PubChem
    191449 ChEBI
    15083142 PubChem: Thomson Pharma
    LMPK12050097 LipidMaps
    60075973 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.