Dataset

Taxifolin (3,3',4',5,7-pentahydroxylflavanone); LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003045 contains the MS2 mass spectrum of Taxifolin (3,3',4',5,7-pentahydroxylflavanone) with the InChIkey CXQWRCVTCMQVQX-LSDHHAIUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
SMILES C1(=C(C(=C(C(=C1[C@]2([H])[C@]([H])(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])O[H])O[H])[H])[H]
InChI Key CXQWRCVTCMQVQX-LSDHHAIUSA-N
Molecular Formula C15H12O7
Exact Mass 304.058 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-BS003045
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02224 drugbank
    CHEBI:17948 chebi
    LMPK12140721 lipidmaps
    DQH rcsb_pdb
    CHEMBL66 chembl
    29361519 surechembl
    29367955 surechembl
    30631315 surechembl
    39786 surechembl
    439533 pubchem
    9SOB9E3987 fdasrs
    EAS93SC1VS fdasrs
    PD002853 probes_and_drugs
    OKEFES CCDC
    19823 brenda
    23212 brenda
    265462 brenda
    3233 brenda
    33019 brenda
    56438 brenda
    57431 brenda
    57491 brenda
    68720 brenda
    88156 brenda
    HMDB0303943 hmdb
    373987 bindingdb
    Molport-001-740-892 molport
    The data in this table is sourced from UniChem at EBI.