Dataset

Isosakuranetin; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003553 contains the MS 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 C(OC1=C(C(=C(C(=C1[H])[H])C2(C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])([H])[H])[H])[H])[H])([H])([H])[H]
InChI Key HMUJXQRRKBLVOO-AWEZNQCLSA-N
Molecular Formula C16H14O5
Exact Mass 286.084 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-BS003553
Version
Author
Maintainer
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MetadataPublished 2017-12-01
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
    50325673 BindingDB
    248297 Brenda
    J12.391I Nikkaji
    ZINC000002146973 ZINC
    MCULE-6964743359 Mcule
    IHAGUW CCDC
    HY-N2131 MedChemExpress
    LMPK12140355 LipidMaps
    10299 Guide to Pharmacology
    CHEMBL470266 ChEMBL
    C05334 KEGG Ligand
    U02X7TF8UA FDA SRS
    MTBLC27552 Metabolights
    1935877 eMolecules
    160481 PubChem
    60022385 NMRShiftDB
    SCHEMBL676015 SureChEMBL
    480-43-3 ACToR
    27552 ChEBI
    PD078842 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.