Dataset

Scutellarein; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003660 contains the MS mass spectrum of Scutellarein with the InChIkey JVXZRQGOGOXCEC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
SMILES C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])O[H])O[H])[H])[H])[H])[H])O[H])[H])[H]
InChI Key JVXZRQGOGOXCEC-UHFFFAOYSA-N
Molecular Formula C15H10O6
Exact Mass 286.048 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-BS003660
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5281697 PubChem
    60022701 NMRShiftDB
    14775524 PubChem: Thomson Pharma
    P460GTI853 FDA SRS
    529-53-3 ACToR
    PD052626 ProbesDrugs
    2723940 eMolecules
    8761 Brenda
    ZINC000005842416 ZINC
    CB6402688 ChemicalBook
    68771 Brenda
    27102 Brenda
    157340 Brenda
    MTBLC9062 Metabolights
    SCHEMBL142093 SureChEMBL
    J6.686I Nikkaji
    23411 BindingDB
    DTXSID40200946 EPA CompTox Dashboard
    HY-N0752 MedChemExpress
    LMPK12111160 LipidMaps
    9062 ChEBI
    C10184 KEGG Ligand
    CHEMBL55415 ChEMBL
    The data in this table is sourced from UniChem at EBI.