Dataset

3,7,4'-Trihydroxyflavone (5-Deoxykampferol); LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003729 contains the MS2 mass spectrum of 3,7,4'-Trihydroxyflavone (5-Deoxykampferol) with the InChIkey OBWHQJYOOCRPST-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,16-17,19H
SMILES C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3[H])[H])O[H])[H])O[H])[H])[H])O[H])[H])[H]
InChI Key OBWHQJYOOCRPST-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 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-BS003729
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MetadataPublished 2017-12-01
Related Molecule
  • 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5281611 PubChem
    60022442 NMRShiftDB
    PD117619 ProbesDrugs
    127404 Brenda
    14750505 PubChem: Thomson Pharma
    2034-65-3 ACToR
    SCHEMBL344710 SureChEMBL
    196244 ChEBI
    4368682 eMolecules
    172821 Brenda
    23228 Brenda
    110173 Brenda
    ZINC000006093351 ZINC
    HMDB0034004 Human Metabolome Database
    MCULE-6811611432 Mcule
    HY-111806 MedChemExpress
    DTXSID90174249 EPA CompTox Dashboard
    26657 BindingDB
    J884B Nikkaji
    LMPK12111552 LipidMaps
    CB4146687 ChemicalBook
    C10037 KEGG Ligand
    CHEMBL242383 ChEMBL
    The data in this table is sourced from UniChem at EBI.