Dataset

3,7,3',4',5'-Pentahydroxyflavone (Robinetin); LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003429 contains the MS 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-BS003429
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
    PD158065 ProbesDrugs
    LKR PDBe
    60064753 NMRShiftDB
    14825314 PubChem: Thomson Pharma
    SCHEMBL217743 SureChEMBL
    490-31-3 ACToR
    5281692 PubChem
    776431 eMolecules
    19469 Brenda
    MTBLC8876 Metabolights
    MCULE-2330347941 Mcule
    KJ6DBC4U7E FDA SRS
    CHEMBL170405 ChEMBL
    C10177 KEGG Ligand
    ZINC000004098600 ZINC
    CB3740354 ChemicalBook
    HY-N1347 MedChemExpress
    LMPK12111577 LipidMaps
    DTXSID30197654 EPA CompTox Dashboard
    8876 ChEBI
    50033767 BindingDB
    J1.551B Nikkaji
    The data in this table is sourced from UniChem at EBI.