Dataset

4',5,7-TRIACETOXYFLAVONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002083 contains the MS mass spectrum of 4',5,7-TRIACETOXYFLAVONE with the InChIkey IVXFOQQPPONQTB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H16O8/c1-11(22)26-15-6-4-14(5-7-15)18-10-17(25)21-19(28-13(3)24)8-16(27-12(2)23)9-20(21)29-18/h4-10H,1-3H3
SMILES CC(=O)Oc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(OC(C)=O)cc(OC(C)=O)1
InChI Key IVXFOQQPPONQTB-UHFFFAOYSA-N
Molecular Formula C21H16O8
Exact Mass 396.085 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-Fac_Eng_Univ_Tokyo-JP002083
Version
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MetadataPublished 2016-01-19
Related Molecule
  • [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
    J45.896A Nikkaji
    SCHEMBL1676023 SureChEMBL
    CHEMBL3039042 ChEMBL
    DTXSID70186805 EPA CompTox Dashboard
    92205 ChEBI
    18721 PubChem
    3316-46-9 ACToR
    6LQX84KDOB FDA SRS
    LSM-2246 LINCS
    The data in this table is sourced from UniChem at EBI.