Dataset

Daidzein-8-C-glucoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR302206 contains the MS2 mass spectrum of Daidzein-8-C-glucoside with the InChIkey HKEAFJYKMMKDOR-VPRICQMDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1
InChI Key HKEAFJYKMMKDOR-VPRICQMDSA-N
Molecular Formula C21H20O9
Exact Mass 416.382 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-PR302206
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB12290 drugbank
    CHEBI:8633 chebi
    LMPK12050005 lipidmaps
    A1H6W rcsb_pdb
    CHEMBL486386 chembl
    29642342 surechembl
    8581666 surechembl
    5281807 pubchem
    A1H6W pdbe
    PD019429 probes_and_drugs
    CADQUT CCDC
    21884 brenda
    Z9W8997416 fdasrs
    HMDB0240265 hmdb
    DTXSID30958020 comptox
    NCT00854724 clinicaltrials
    NCT02254655 clinicaltrials
    NCT03016793 clinicaltrials
    NCT03099590 clinicaltrials
    NCT03676296 clinicaltrials
    FDB029976 foodb
    Molport-003-939-176 molport
    50129558 bindingdb
    The data in this table is sourced from UniChem at EBI.