Dataset

Demethoxycurcumin; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00920 contains the MS2 mass spectrum of Demethoxycurcumin with the InChIkey HJTVQHVGMGKONQ-LUZURFALSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
SMILES COc(c1)c(O)ccc(C=CC(=O)CC(=O)C=Cc(c2)ccc(O)c2)1
InChI Key HJTVQHVGMGKONQ-LUZURFALSA-N
Molecular Formula C20H18O5
Exact Mass 338.115 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00920
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Maintainer
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MetadataPublished 2020-06-09
Related Molecule
  • (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:65737 chebi
    CHEMBL105360 chembl
    13521973 surechembl
    431246 surechembl
    5469424 pubchem
    W2F8059T80 fdasrs
    PD019368 probes_and_drugs
    13941 brenda
    148715 brenda
    155947 brenda
    163591 brenda
    HMDB0033801 hmdb
    Molport-016-638-373 molport
    The data in this table is sourced from UniChem at EBI.