Dataset

Homoeriodictyol; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003789 contains the MS2 mass spectrum of Homoeriodictyol with the InChIkey FTODBIPDTXRIGS-ZDUSSCGKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1
SMILES C(OC1=C(C(=C(C(=C1[H])[C@]2([H])C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])([H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key FTODBIPDTXRIGS-ZDUSSCGKSA-N
Molecular Formula C16H14O6
Exact Mass 302.079 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-BS003789
Version
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL490170 ChEMBL
    C09756 KEGG Ligand
    74960 Rhea
    50325672 BindingDB
    DTXSID30196243 EPA CompTox Dashboard
    J95.423C Nikkaji
    LMPK12140449 LipidMaps
    ZINC000004098322 ZINC
    207846 Brenda
    CB4702126 ChemicalBook
    144438 Brenda
    20299 Brenda
    MTBLC74960 Metabolights
    74960 ChEBI
    73635 PubChem
    60021913 NMRShiftDB
    136366952 PubChem: Thomson Pharma
    SCHEMBL39497 SureChEMBL
    446-71-9 ACToR
    EHE7H3705C FDA SRS
    The data in this table is sourced from UniChem at EBI.