Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR302928 contains the MS2 mass spectrum of Biochanin-7-O-glucoside with the InChIkey LFEUICHQZGNOHD-RECXWPGBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
SMILES COC1=CC=C(C=C1)C1=COC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2C1=O
InChI Key LFEUICHQZGNOHD-RECXWPGBSA-N
Molecular Formula C22H22O10
Exact Mass 446.408 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-PR302928
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Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5-hydroxy-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
    CHEBI:28751 chebi
    LMPK12050219 lipidmaps
    CHEMBL3426809 chembl
    30089411 surechembl
    5280781 pubchem
    2F2SK16U1X fdasrs
    185278 brenda
    190428 brenda
    35263 brenda
    57273 brenda
    96246 brenda
    Molport-001-740-607 molport
    The data in this table is sourced from UniChem at EBI.