Dataset

Silychristin; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003685 contains the MS2 mass spectrum of Silychristin with the InChIkey BMLIIPOXVWESJG-LMBCONBSSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22+,23+,24-/m1/s1
SMILES C(OC1=C(C(=C(C(=C1[H])[C@@]2([H])[C@@]([H])(C3=C(O2)C(=C(C(=C3[H])[C@]4([H])[C@]([H])(C(=O)C5=C(C(=C(C(=C5O4)[H])O[H])[H])O[H])O[H])[H])O[H])C(O[H])([H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key BMLIIPOXVWESJG-LMBCONBSSA-N
Molecular Formula C25H22O10
Exact Mass 482.121 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-BS003685
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MetadataPublished 2017-12-01
Related Molecule
  • (2R,3R)-3,5,7-trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:9143 chebi
    LMPK12140717 lipidmaps
    CHEMBL130493 chembl
    29977624 surechembl
    971442 surechembl
    441764 pubchem
    LK279ER14X fdasrs
    DB20907 drugbank
    PD054507 probes_and_drugs
    227822 brenda
    Molport-006-069-276 molport
    The data in this table is sourced from UniChem at EBI.