Dataset

Matairesinol; LC-APCI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82433 contains the MS mass spectrum of Matairesinol with the InChIkey MATGKVZWFZHCLI-LSDHHAIUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
SMILES COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)O
InChI Key MATGKVZWFZHCLI-LSDHHAIUSA-N
Molecular Formula C20H22O6
Exact Mass 358.142 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-BML82433
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    119205 PubChem
    60022945 NMRShiftDB
    PD006886 ProbesDrugs
    580-72-3 ACToR
    SCHEMBL120499 SureChEMBL
    17163848 PubChem: Thomson Pharma
    16403545 PubChem: Thomson Pharma
    504687 eMolecules
    6698 ChEBI
    HMDB0035698 Human Metabolome Database
    86939 Brenda
    MTBLC6698 Metabolights
    6698 Rhea
    J14.221B Nikkaji
    50240921 BindingDB
    ZINC000001595957 ZINC
    MCULE-2004788067 Mcule
    CB6207276 ChemicalBook
    XLW63P8WUA FDA SRS
    DB04200 DrugBank
    CHEMBL425148 ChEMBL
    C10682 KEGG Ligand
    MAX PDBe
    The data in this table is sourced from UniChem at EBI.