Dataset

Phloridzin; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00588 contains the MS2 mass spectrum of Phloridzin with the InChIkey IOUVKUPGCMBWBT-QNDFHXLGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1
SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI Key IOUVKUPGCMBWBT-QNDFHXLGSA-N
Molecular Formula C21H24O10
Exact Mass 436.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00588
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB16771 drugbank
    CHEBI:8113 chebi
    LMPK12120517 lipidmaps
    LN9 rcsb_pdb
    CHEMBL245067 chembl
    17290 surechembl
    6072 pubchem
    CU9S17279X fdasrs
    PD002007 probes_and_drugs
    CEWWAC CCDC
    111914 brenda
    1563 brenda
    163558 brenda
    229772 brenda
    229773 brenda
    7269 brenda
    HMDB0036634 hmdb
    Molport-002-525-341 molport
    20875 bindingdb
    The data in this table is sourced from UniChem at EBI.