Dataset

Eupatilin; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003606 contains the MS mass spectrum of Eupatilin with the InChIkey DRRWBCNQOKKKOL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])OC([H])([H])[H])O[H])[H])[H])OC([H])([H])[H])([H])([H])[H]
InChI Key DRRWBCNQOKKKOL-UHFFFAOYSA-N
Molecular Formula C18H16O7
Exact Mass 344.090 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-BS003606
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16885 drugbank
    LMPK12111228 lipidmaps
    CHEMBL312750 chembl
    1033509 surechembl
    29568655 surechembl
    29926197 surechembl
    5273755 pubchem
    4D58O05490 fdasrs
    PD017172 probes_and_drugs
    WEHGOG CCDC
    151819 brenda
    50011 brenda
    HMDB0029469 hmdb
    Molport-008-155-866 molport
    50060926 bindingdb
    The data in this table is sourced from UniChem at EBI.