Dataset

isosakuranetin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR302329 contains the MS2 mass spectrum of isosakuranetin with the InChIkey HMUJXQRRKBLVOO-AWEZNQCLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILES COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
InChI Key HMUJXQRRKBLVOO-AWEZNQCLSA-N
Molecular Formula C16H14O5
Exact Mass 286.283 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-PR302329
Version
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27552 chebi
    LMPK12140355 lipidmaps
    CHEMBL470266 chembl
    29358328 surechembl
    676015 surechembl
    160481 pubchem
    U02X7TF8UA fdasrs
    PD078842 probes_and_drugs
    IHAGUW CCDC
    248297 brenda
    Molport-001-742-462 molport
    50325673 bindingdb
    The data in this table is sourced from UniChem at EBI.