Dataset

7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-5-yl acetate; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80580 contains the MS mass spectrum of 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-4-oxochromen-5-yl acetate with the InChIkey MABQMQKDSPCURQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H18O10/c1-11(24)29-16-8-21(32-14(4)27)23-17(28)10-19(33-22(23)9-16)15-5-6-18(30-12(2)25)20(7-15)31-13(3)26/h5-10H,1-4H3
SMILES CC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C
InChI Key MABQMQKDSPCURQ-UHFFFAOYSA-N
Molecular Formula C23H18O10
Exact Mass 454.090 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-BML80580
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MetadataPublished 2016-01-19
Related Molecule
  • [2-acetyloxy-4-(5,7-diacetyloxy-4-oxochromen-2-yl)phenyl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL6725835 SureChEMBL
    MCULE-5118400559 Mcule
    135952 PubChem
    1061-93-4 ACToR
    4785279 eMolecules
    ZINC000001082863 ZINC
    DTXSID10147511 EPA CompTox Dashboard
    J46.391D Nikkaji
    CHEMBL88961 ChEMBL
    The data in this table is sourced from UniChem at EBI.