Dataset

Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS042611 contains the MS2 mass spectrum of Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, 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=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI Key PEFNSGRTCBGNAN-QNDFHXLGSA-N
Molecular Formula C21H20O11
Exact Mass 448.380 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS042611
Version
Author
Maintainer
Language
MetadataPublished 2009-02-09
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27994 chebi
    LMPK12113403 lipidmaps
    CHEMBL233929 chembl
    149118 surechembl
    29374275 surechembl
    29558199 surechembl
    5280637 pubchem
    98J6XDS46I fdasrs
    PD063636 probes_and_drugs
    115984 brenda
    123348 brenda
    12809 brenda
    141760 brenda
    165116 brenda
    17638 brenda
    18642 brenda
    229321 brenda
    241955 brenda
    29650 brenda
    32671 brenda
    3645 brenda
    55908 brenda
    56649 brenda
    66408 brenda
    96055 brenda
    HMDB0035588 hmdb
    Molport-001-740-780 molport
    50241242 bindingdb
    The data in this table is sourced from UniChem at EBI.