Dataset

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

This MassBank record with Accession MSBNK-BS-BS003430 contains the MS2 mass spectrum of 3,7,3',4',5'-Pentahydroxyflavone (Robinetin) with the InChIkey SOEDEYVDCDYMMH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
SMILES C1(=C(C2=C(C(=C1O[H])[H])OC(=C(C2=O)O[H])C3=C(C(=C(C(=C3[H])O[H])O[H])O[H])[H])[H])[H]
InChI Key SOEDEYVDCDYMMH-UHFFFAOYSA-N
Molecular Formula C15H10O7
Exact Mass 302.043 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-BS003430
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8876 chebi
    LMPK12111577 lipidmaps
    LKR rcsb_pdb
    CHEMBL170405 chembl
    217743 surechembl
    29883566 surechembl
    5281692 pubchem
    KJ6DBC4U7E fdasrs
    PD158065 probes_and_drugs
    19469 brenda
    LKR pdbe
    Molport-004-960-055 molport
    50033767 bindingdb
    The data in this table is sourced from UniChem at EBI.