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
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LMPK12140717 LipidMaps
    227822 Brenda
    J913.169H Nikkaji
    HY-N0647 MedChemExpress
    DTXSID50187512 EPA CompTox Dashboard
    MTBLC9143 Metabolights
    C08717 KEGG Ligand
    CHEMBL130493 ChEMBL
    SCHEMBL971442 SureChEMBL
    ZINC000003793048 ZINC
    441764 PubChem
    60027014 NMRShiftDB
    9143 ChEBI
    LK279ER14X FDA SRS
    PD054507 ProbesDrugs
    30512696 eMolecules
    The data in this table is sourced from UniChem at EBI.