Dataset

Acacetin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80675 contains the MS mass spectrum of Acacetin with the InChIkey DANYIYRPLHHOCZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
SMILES COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI Key DANYIYRPLHHOCZ-UHFFFAOYSA-N
Molecular Formula C16H12O5
Exact Mass 284.068 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-BML80675
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL107712 SureChEMBL
    ZINC000003871358 ZINC
    CB9316535 ChemicalBook
    14039 Brenda
    4661 Brenda
    125030 Brenda
    MTBLC15335 Metabolights
    474250 eMolecules
    5280442 PubChem
    60022381 NMRShiftDB
    15369193 PubChem: Thomson Pharma
    KWI7J0A2CC FDA SRS
    LSM-6662 LINCS
    480-44-4 ACToR
    PD037100 ProbesDrugs
    56310581 PubChem: Drugs of the Future
    CHEMBL243664 ChEMBL
    C01470 KEGG Ligand
    LMPK12110468 LipidMaps
    23415 BindingDB
    HY-N0451 MedChemExpress
    J6.166B Nikkaji
    DTXSID00197383 EPA CompTox Dashboard
    91589 Brenda
    MCULE-8773156096 Mcule
    DAXMFV CCDC
    15335 ChEBI
    The data in this table is sourced from UniChem at EBI.