Dataset

Chrysoeriol; LC-ESI-ITTOF; MS; [M+H]+

This MassBank record with Accession MSBNK-Univ_Toyama-TY000126 contains the MS mass spectrum of Chrysoeriol with the InChIkey SCZVLDHREVKTSH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O6/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/h2-7,17-19H,1H3
SMILES COc(c(O)3)cc(cc3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
InChI Key SCZVLDHREVKTSH-UHFFFAOYSA-N
Molecular Formula C16H12O6
Exact Mass 300.063 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-Univ_Toyama-TY000126
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB17283 drugbank
    CHEBI:16514 chebi
    LMPK12110799 lipidmaps
    CHEMBL214321 chembl
    293757 surechembl
    29411724 surechembl
    30331803 surechembl
    5280666 pubchem
    Q813145M20 fdasrs
    PD150718 probes_and_drugs
    137251 brenda
    208497 brenda
    40187 brenda
    43510 brenda
    4511 brenda
    HMDB0030667 hmdb
    Molport-002-511-856 molport
    50241084 bindingdb
    The data in this table is sourced from UniChem at EBI.