Dataset

Lariciresinol; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82415 contains the MS mass spectrum of Lariciresinol with the InChIkey MHXCIKYXNYCMHY-AUSJPIAWSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1
SMILES COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)O
InChI Key MHXCIKYXNYCMHY-AUSJPIAWSA-N
Molecular Formula C20H24O6
Exact Mass 360.157 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-BML82415
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MetadataPublished 2016-01-19
Related Molecule
  • 4-[[(3R,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    GFU PDBe
    DTXSID30318362 EPA CompTox Dashboard
    J17.258H Nikkaji
    50335920 BindingDB
    73XCE5OZB0 FDA SRS
    MUKBOK CCDC
    HMDB0303941 Human Metabolome Database
    CB5223646 ChemicalBook
    CHEMBL518421 ChEMBL
    C10646 KEGG Ligand
    57304423 PubChem: Drugs of the Future
    MTBLC67246 Metabolights
    18838 Brenda
    67246 Rhea
    172512 Brenda
    ZINC000004098820 ZINC
    SCHEMBL121881 SureChEMBL
    14852476 PubChem: Thomson Pharma
    332427 PubChem
    27003-73-2 ACToR
    67246 ChEBI
    60026972 NMRShiftDB
    36772341 eMolecules
    The data in this table is sourced from UniChem at EBI.