Dataset

Luteolin 7-O-glucoside (Cynaroside); LC-ESI-QTOF; MS; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003960 contains the MS mass spectrum of Luteolin 7-O-glucoside (Cynaroside) with the InChIkey PEFNSGRTCBGNAN-QNDFHXLGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
SMILES C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O4)C(O[H])([H])[H])O[H])O[H])O[H])[H])O[H])[H])[H])O[H])O[H])[H])[H]
InChI Key PEFNSGRTCBGNAN-QNDFHXLGSA-N
Molecular Formula C21H20O11
Exact Mass 448.101 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-BS003960
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL233929 ChEMBL
    27994 ChEBI
    12015660 PubChem: Drugs of the Future
    C03951 KEGG Ligand
    MCULE-8191036162 Mcule
    241955 Brenda
    229321 Brenda
    HY-N0540 MedChemExpress
    LMPK12113403 LipidMaps
    50241242 BindingDB
    29650 Brenda
    J94.450E Nikkaji
    141760 Brenda
    5280637 PubChem
    60018816 NMRShiftDB
    15082528 PubChem: Thomson Pharma
    26811-41-6 ACToR
    5373-11-5 ACToR
    PD063636 ProbesDrugs
    1935910 eMolecules
    35875945 eMolecules
    32671 Brenda
    55908 Brenda
    HMDB0035588 Human Metabolome Database
    CB4369516 ChemicalBook
    ZINC000004096258 ZINC
    12809 Brenda
    165116 Brenda
    18642 Brenda
    123348 Brenda
    3645 Brenda
    66408 Brenda
    17638 Brenda
    56649 Brenda
    115984 Brenda
    MTBLC27994 Metabolights
    96055 Brenda
    98J6XDS46I FDA SRS
    SCHEMBL149118 SureChEMBL
    The data in this table is sourced from UniChem at EBI.