Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR305984 contains the MS2 mass spectrum of Formononetin-7-O-glucoside with the InChIkey MGJLSBDCWOSMHL-MIUGBVLSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILES COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI Key MGJLSBDCWOSMHL-MIUGBVLSSA-N
Molecular Formula C22H22O9
Exact Mass 430.409 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-PR305984
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 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
    7775 Rhea
    110935 Brenda
    45526 Brenda
    16085 Brenda
    138485 Brenda
    155656 Brenda
    MTBLC7775 Metabolights
    SCHEMBL240476 SureChEMBL
    442813 PubChem
    MCULE-9870135362 Mcule
    14856525 PubChem: Thomson Pharma
    60022418 NMRShiftDB
    486-62-4 ACToR
    Z0Z637970U FDA SRS
    PD052373 ProbesDrugs
    530201 eMolecules
    CHEMBL465980 ChEMBL
    7775 ChEBI
    C10509 KEGG Ligand
    J12.916J Nikkaji
    50409313 BindingDB
    ZINC000001081322 ZINC
    MCULE-5020661304 Mcule
    HY-N0270 MedChemExpress
    LMPK12050014 LipidMaps
    The data in this table is sourced from UniChem at EBI.